1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide

C18H17ClN4O — CID 51647994

IUPAC1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1cccnc1
InChIInChI=1S/C18H17ClN4O/c1-13(14-6-4-8-20-9-14)22-18(24)16-10-21-23(12-16)11-15-5-2-3-7-17(15)19/h2-10,12-13H,11H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeySBZIOBDVWOGHTQ-ZDUSSCGKSA-N
MW340.81 g/mol
LogP3.47
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide (PubChem CID 51647994) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
PubChem CID51647994
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1cccnc1
InChIInChI=1S/C18H17ClN4O/c1-13(14-6-4-8-20-9-14)22-18(24)16-10-21-23(12-16)11-15-5-2-3-7-17(15)19/h2-10,12-13H,11H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeySBZIOBDVWOGHTQ-ZDUSSCGKSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 94813569
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CID 55893248
1-[(2-chlorophenyl)methyl]-N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 25440796
1-[(2-chlorophenyl)methyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 38759533
1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazole-4-carboxamide
CID 18281965
N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 51315406
2-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253710
1-[(2-chlorophenyl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34584858
methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 41143878
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide (CID 51647994) is 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide is C[C@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1cccnc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide?
The InChIKey is SBZIOBDVWOGHTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-13(14-6-4-8-20-9-14)22-18(24)16-10-21-23(12-16)11-15-5-2-3-7-17(15)19/h2-10,12-13H,11H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51647994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).