5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C21H18ClN5O — CID 16600513

IUPAC5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cn1cccn1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN5O/c22-18-8-6-15(7-9-18)20-19(13-24-26-20)21(28)23-12-16-4-1-2-5-17(16)14-27-11-3-10-25-27/h1-11,13H,12,14H2,(H,23,28)(H,24,26)
InChIKeyIGJCXRAUUKFVGW-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.90
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 16600513) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID16600513
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cn1cccn1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN5O/c22-18-8-6-15(7-9-18)20-19(13-24-26-20)21(28)23-12-16-4-1-2-5-17(16)14-27-11-3-10-25-27/h1-11,13H,12,14H2,(H,23,28)(H,24,26)
InChIKeyIGJCXRAUUKFVGW-UHFFFAOYSA-N
XLogP3.90
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 25342036
1-[(2-chlorophenyl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34584858
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 18136016
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72913584
4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16622345
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 16600513) is 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCc1ccccc1Cn1cccn1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is IGJCXRAUUKFVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c22-18-8-6-15(7-9-18)20-19(13-24-26-20)21(28)23-12-16-4-1-2-5-17(16)14-27-11-3-10-25-27/h1-11,13H,12,14H2,(H,23,28)(H,24,26).
What are the key properties of 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 16600513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).