N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide

C20H17ClN4O2 — CID 26768615

IUPACN'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O2/c21-15-6-4-5-14(11-15)19(26)22-23-20(27)18-12-17(13-9-10-13)24-25(18)16-7-2-1-3-8-16/h1-8,11-13H,9-10H2,(H,22,26)(H,23,27)
InChIKeyFVMQZSZOWSTJMX-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.48
Rot. Bonds4

About N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide

N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide (PubChem CID 26768615) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
PubChem CID26768615
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O2/c21-15-6-4-5-14(11-15)19(26)22-23-20(27)18-12-17(13-9-10-13)24-25(18)16-7-2-1-3-8-16/h1-8,11-13H,9-10H2,(H,22,26)(H,23,27)
InChIKeyFVMQZSZOWSTJMX-UHFFFAOYSA-N
XLogP3.48
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
CID 134797164
N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 34136216
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
CID 46439782
dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 26737011
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9086701
3-cyclopropyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 43024528
3-cyclopropyl-1-phenyl-N-(3-phenylmethoxypropyl)pyrazole-5-carboxamide
CID 41365797

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide (CID 26768615) is N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide is O=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide?
The InChIKey is FVMQZSZOWSTJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-15-6-4-5-14(11-15)19(26)22-23-20(27)18-12-17(13-9-10-13)24-25(18)16-7-2-1-3-8-16/h1-8,11-13H,9-10H2,(H,22,26)(H,23,27).
What are the key properties of N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide?
N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide has a molecular weight of 380.84 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide is sourced from PubChem (CID 26768615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).