3-amino-1H-pyrazole-5-carbohydrazide

C4H7N5O — CID 167716979

IUPAC3-amino-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C4H7N5O/c5-3-1-2(8-9-3)4(10)7-6/h1H,6H2,(H,7,10)(H3,5,8,9)
InChIKeyGPSUIIFTJMMGNX-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.40
Rot. Bonds1

About 3-amino-1H-pyrazole-5-carbohydrazide

3-amino-1H-pyrazole-5-carbohydrazide (PubChem CID 167716979) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-amino-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-amino-1H-pyrazole-5-carbohydrazide
PubChem CID167716979
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name3-amino-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C4H7N5O/c5-3-1-2(8-9-3)4(10)7-6/h1H,6H2,(H,7,10)(H3,5,8,9)
InChIKeyGPSUIIFTJMMGNX-UHFFFAOYSA-N
XLogP-1.40
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-amino-1H-pyrazole-5-carbohydrazide (CID 167716979) is 3-amino-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-amino-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-amino-1H-pyrazole-5-carbohydrazide is NNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-1H-pyrazole-5-carbohydrazide?
The InChIKey is GPSUIIFTJMMGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-3-1-2(8-9-3)4(10)7-6/h1H,6H2,(H,7,10)(H3,5,8,9).
What are the key properties of 3-amino-1H-pyrazole-5-carbohydrazide?
3-amino-1H-pyrazole-5-carbohydrazide has a molecular weight of 141.13 g/mol, XLogP of -1.40, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 167716979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).