ethyl 3,5-diamino-1H-pyrazole-4-carboxylate

ethyl 3,5-diamino-1H-pyrazole-4-carboxylate

CAS: 6825-71-4

Formula: C6H10N4O2

SMILES: CCOC(=O)C1=C(N)NN=C1N

IUPAC: ethyl 3,5-diamino-1H-pyrazole-4-carboxylate

InChI: InChI=1S/C6H10N4O2/c1-2-12-6(11)3-4(7)9-10-5(3)8/h2H2,1H3,(H5,7,8,9,10)

Composition: C (42.35%), H (5.92%), N (32.92%), O (18.80%)

Molar Mass: 170.172

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.080375578
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	HRAWNPOJGRIJSB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.49
Topological Polar Surface Area	107.02
Polarizability	15.79
Ring Count	1
Rotatable Bond Count	3

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