4-nitro-1H-pyrazole-5-carbohydrazide

C4H5N5O3 — CID 3975605

IUPAC4-nitro-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C4H5N5O3/c5-7-4(10)3-2(9(11)12)1-6-8-3/h1H,5H2,(H,6,8)(H,7,10)
InChIKeyJJQIXMHAWQODPK-UHFFFAOYSA-N
MW171.12 g/mol
LogP-1.08
Rot. Bonds2

About 4-nitro-1H-pyrazole-5-carbohydrazide

4-nitro-1H-pyrazole-5-carbohydrazide (PubChem CID 3975605) has the molecular formula C4H5N5O3 and a molecular weight of 171.12 g/mol. Its IUPAC name is 4-nitro-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name4-nitro-1H-pyrazole-5-carbohydrazide
PubChem CID3975605
Molecular FormulaC4H5N5O3
Molecular Weight171.12 g/mol
Exact Mass171.04
IUPAC Name4-nitro-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C4H5N5O3/c5-7-4(10)3-2(9(11)12)1-6-8-3/h1H,5H2,(H,6,8)(H,7,10)
InChIKeyJJQIXMHAWQODPK-UHFFFAOYSA-N
XLogP-1.08
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 4-nitro-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 4-nitro-1H-pyrazole-5-carbohydrazide (CID 3975605) is 4-nitro-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 4-nitro-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 4-nitro-1H-pyrazole-5-carbohydrazide is NNC(=O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 4-nitro-1H-pyrazole-5-carbohydrazide?
The InChIKey is JJQIXMHAWQODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O3/c5-7-4(10)3-2(9(11)12)1-6-8-3/h1H,5H2,(H,6,8)(H,7,10).
What are the key properties of 4-nitro-1H-pyrazole-5-carbohydrazide?
4-nitro-1H-pyrazole-5-carbohydrazide has a molecular weight of 171.12 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 3975605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).