3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide

C19H16ClN3O — CID 134797164

IUPAC3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O/c20-15-6-4-5-14(11-15)19(24)21-18-12-17(13-9-10-13)22-23(18)16-7-2-1-3-8-16/h1-8,11-13H,9-10H2,(H,21,24)
InChIKeyBBBOEYXMWWZEIM-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.66
Rot. Bonds4

About 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide

3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide (PubChem CID 134797164) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
PubChem CID134797164
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O/c20-15-6-4-5-14(11-15)19(24)21-18-12-17(13-9-10-13)22-23(18)16-7-2-1-3-8-16/h1-8,11-13H,9-10H2,(H,21,24)
InChIKeyBBBOEYXMWWZEIM-UHFFFAOYSA-N
XLogP4.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 26768615
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide
CID 78830472
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
CID 78830462
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide
CID 166403509
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 51111472
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 55553271
phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
CID 66876742
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide (CID 134797164) is 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide is O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide?
The InChIKey is BBBOEYXMWWZEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-15-6-4-5-14(11-15)19(24)21-18-12-17(13-9-10-13)22-23(18)16-7-2-1-3-8-16/h1-8,11-13H,9-10H2,(H,21,24).
What are the key properties of 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide?
3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide has a molecular weight of 337.81 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 134797164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).