1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

C19H19ClN4O — CID 42818207

IUPAC1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCc2ccncc2)cnn1-c1ccccc1Cl
InChIInChI=1S/C19H19ClN4O/c1-2-5-17-15(19(25)22-12-14-8-10-21-11-9-14)13-23-24(17)18-7-4-3-6-16(18)20/h3-4,6-11,13H,2,5,12H2,1H3,(H,22,25)
InChIKeyHRIVJLRRTZLKEE-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.80
Rot. Bonds6

About 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42818207) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID42818207
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCc2ccncc2)cnn1-c1ccccc1Cl
InChIInChI=1S/C19H19ClN4O/c1-2-5-17-15(19(25)22-12-14-8-10-21-11-9-14)13-23-24(17)18-7-4-3-6-16(18)20/h3-4,6-11,13H,2,5,12H2,1H3,(H,22,25)
InChIKeyHRIVJLRRTZLKEE-UHFFFAOYSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818120
1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
1-(2-chlorophenyl)-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-propylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69181187
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide
CID 2811257
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606394
N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide
CID 81229372
1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361205
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (CID 42818207) is 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is CCCc1c(C(=O)NCc2ccncc2)cnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HRIVJLRRTZLKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-5-17-15(19(25)22-12-14-8-10-21-11-9-14)13-23-24(17)18-7-4-3-6-16(18)20/h3-4,6-11,13H,2,5,12H2,1H3,(H,22,25).
What are the key properties of 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42818207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).