4-chloro-1,3-dimethylpyrazole-5-carbohydrazide

C6H9ClN4O — CID 593923

IUPAC4-chloro-1,3-dimethylpyrazole-5-carbohydrazide
SMILESCc1nn(C)c(C(=O)NN)c1Cl
InChIInChI=1S/C6H9ClN4O/c1-3-4(7)5(6(12)9-8)11(2)10-3/h8H2,1-2H3,(H,9,12)
InChIKeyJZTBRQZNXALQSP-UHFFFAOYSA-N
MW188.62 g/mol
LogP-0.01
Rot. Bonds1

About 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide

4-chloro-1,3-dimethylpyrazole-5-carbohydrazide (PubChem CID 593923) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name4-chloro-1,3-dimethylpyrazole-5-carbohydrazide
PubChem CID593923
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name4-chloro-1,3-dimethylpyrazole-5-carbohydrazide
SMILESCc1nn(C)c(C(=O)NN)c1Cl
InChIInChI=1S/C6H9ClN4O/c1-3-4(7)5(6(12)9-8)11(2)10-3/h8H2,1-2H3,(H,9,12)
InChIKeyJZTBRQZNXALQSP-UHFFFAOYSA-N
XLogP-0.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
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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Related Compounds

4-Chloro-3-ethyl-1-methylpyrazole-5-carboxamide
CID 23359470
2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-cyclohexylhydrazinecarboxamide
CID 831788
2-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-ethylhydrazinecarbothioamide
CID 1767168
1-Butyl-3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]thiourea
CID 1766431
2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-ethylhydrazinecarbothioamide
CID 1766536
2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-isobutylhydrazinecarbothioamide
CID 1767190
N-butyl-2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide
CID 4230051
2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-cyclohexylhydrazinecarbothioamide
CID 1231742
(4-Chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 841673
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4768702
1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide?
The IUPAC name of 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide (CID 593923) is 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide.
What is the SMILES notation for 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide?
The canonical SMILES for 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide is Cc1nn(C)c(C(=O)NN)c1Cl.
What is the InChIKey of 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide?
The InChIKey is JZTBRQZNXALQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O/c1-3-4(7)5(6(12)9-8)11(2)10-3/h8H2,1-2H3,(H,9,12).
What are the key properties of 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide?
4-chloro-1,3-dimethylpyrazole-5-carbohydrazide has a molecular weight of 188.62 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethylpyrazole-5-carbohydrazide is sourced from PubChem (CID 593923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).