3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide

C19H17ClN4O — CID 166397759

IUPAC3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)N1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN4O/c20-16-8-6-14(7-9-16)15-12-23(13-15)19(25)22-17-4-1-2-5-18(17)24-11-3-10-21-24/h1-11,15H,12-13H2,(H,22,25)
InChIKeyBJSHJRQNIJMDOP-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.16
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide

3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide (PubChem CID 166397759) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide
PubChem CID166397759
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)N1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN4O/c20-16-8-6-14(7-9-16)15-12-23(13-15)19(25)22-17-4-1-2-5-18(17)24-11-3-10-21-24/h1-11,15H,12-13H2,(H,22,25)
InChIKeyBJSHJRQNIJMDOP-UHFFFAOYSA-N
XLogP4.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-chloro-N-(2-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
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CID 51116517
2-amino-N-(2-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
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(2S)-N-(2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912988
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
3-(4-chlorophenyl)azetidine-1-carboxamide
CID 20744165
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
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4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
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(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
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CID 66010182

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide (CID 166397759) is 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide is O=C(Nc1ccccc1-n1cccn1)N1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide?
The InChIKey is BJSHJRQNIJMDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-16-8-6-14(7-9-16)15-12-23(13-15)19(25)22-17-4-1-2-5-18(17)24-11-3-10-21-24/h1-11,15H,12-13H2,(H,22,25).
What are the key properties of 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide?
3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 166397759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).