6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide

C23H19ClN4O — CID 4109180

IUPAC6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2cnn(-c3ccc(Cl)cc3)c2)nc1
InChIInChI=1S/C23H19ClN4O/c24-20-7-9-21(10-8-20)28-16-19(15-27-28)22-11-6-18(14-26-22)23(29)25-13-12-17-4-2-1-3-5-17/h1-11,14-16H,12-13H2,(H,25,29)
InChIKeyYBEKOQMBLMYEGE-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.56
Rot. Bonds6

About 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide

6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 4109180) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID4109180
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2cnn(-c3ccc(Cl)cc3)c2)nc1
InChIInChI=1S/C23H19ClN4O/c24-20-7-9-21(10-8-20)28-16-19(15-27-28)22-11-6-18(14-26-22)23(29)25-13-12-17-4-2-1-3-5-17/h1-11,14-16H,12-13H2,(H,25,29)
InChIKeyYBEKOQMBLMYEGE-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 4188027
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4658115
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
N-cyclopropyl-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 4171890
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4268648
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide
CID 16652416
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 53108683
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111581091
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide (CID 4109180) is 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(-c2cnn(-c3ccc(Cl)cc3)c2)nc1.
What is the InChIKey of 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is YBEKOQMBLMYEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c24-20-7-9-21(10-8-20)28-16-19(15-27-28)22-11-6-18(14-26-22)23(29)25-13-12-17-4-2-1-3-5-17/h1-11,14-16H,12-13H2,(H,25,29).
What are the key properties of 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 402.89 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4109180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).