3,5-diamino-1H-pyrazole-4-carbohydrazide

C4H8N6O — CID 12621025

IUPAC3,5-diamino-1H-pyrazole-4-carbohydrazide
SMILESNNC(=O)c1c(N)n[nH]c1N
InChIInChI=1S/C4H8N6O/c5-2-1(4(11)8-7)3(6)10-9-2/h7H2,(H,8,11)(H5,5,6,9,10)
InChIKeyIQRPKCYRXQJIAB-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.82
Rot. Bonds1

About 3,5-diamino-1H-pyrazole-4-carbohydrazide

3,5-diamino-1H-pyrazole-4-carbohydrazide (PubChem CID 12621025) has the molecular formula C4H8N6O and a molecular weight of 156.15 g/mol. Its IUPAC name is 3,5-diamino-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3,5-diamino-1H-pyrazole-4-carbohydrazide
PubChem CID12621025
Molecular FormulaC4H8N6O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name3,5-diamino-1H-pyrazole-4-carbohydrazide
SMILESNNC(=O)c1c(N)n[nH]c1N
InChIInChI=1S/C4H8N6O/c5-2-1(4(11)8-7)3(6)10-9-2/h7H2,(H,8,11)(H5,5,6,9,10)
InChIKeyIQRPKCYRXQJIAB-UHFFFAOYSA-N
XLogP-1.82
TPSA135.84 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-1H-pyrazole-4-carboxamide
CID 20395997
3-Amino-5-bromo-1H-pyrazole-4-carboxamide
CID 118024965
3,5-diamino-N-methyl-1H-pyrazole-4-carboxamide
CID 129166500
3-amino-5-chloro-1H-pyrazole-4-carboxamide
CID 133673370
5-amino-3-(methylideneamino)-1H-pyrazole-4-carboxamide
CID 144926703
5-amino-3-(ethylideneamino)-1H-pyrazole-4-carboxamide
CID 144926888
3,5-diamino-1H-pyrazole-4-carbaldehyde
CID 176479796

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 3,5-diamino-1H-pyrazole-4-carbohydrazide (CID 12621025) is 3,5-diamino-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 3,5-diamino-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 3,5-diamino-1H-pyrazole-4-carbohydrazide is NNC(=O)c1c(N)n[nH]c1N.
What is the InChIKey of 3,5-diamino-1H-pyrazole-4-carbohydrazide?
The InChIKey is IQRPKCYRXQJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O/c5-2-1(4(11)8-7)3(6)10-9-2/h7H2,(H,8,11)(H5,5,6,9,10).
What are the key properties of 3,5-diamino-1H-pyrazole-4-carbohydrazide?
3,5-diamino-1H-pyrazole-4-carbohydrazide has a molecular weight of 156.15 g/mol, XLogP of -1.82, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 12621025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).