1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide

C18H18N4O — CID 71983829

IUPAC1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H18N4O/c1-13(21-18(23)17-11-20-22(2)12-17)14-3-5-15(6-4-14)16-7-9-19-10-8-16/h3-13H,1-2H3,(H,21,23)
InChIKeyOVMIYYMVIZUDMJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.97
Rot. Bonds4

About 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide

1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 71983829) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID71983829
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H18N4O/c1-13(21-18(23)17-11-20-22(2)12-17)14-3-5-15(6-4-14)16-7-9-19-10-8-16/h3-13H,1-2H3,(H,21,23)
InChIKeyOVMIYYMVIZUDMJ-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19474638
N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 18112634
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841032
2-(methylamino)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 120704833
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide (CID 71983829) is 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is OVMIYYMVIZUDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13(21-18(23)17-11-20-22(2)12-17)14-3-5-15(6-4-14)16-7-9-19-10-8-16/h3-13H,1-2H3,(H,21,23).
What are the key properties of 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide?
1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71983829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).