5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide

C21H23N5O2 — CID 137049048

IUPAC5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2Cc2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-14-11-19(27)25-21(23-14)26-18(12-15-7-3-2-4-8-15)17(13-22-26)20(28)24-16-9-5-6-10-16/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,24,28)(H,23,25,27)
InChIKeyVLFIZFPYDYBGGO-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.53
Rot. Bonds5

About 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide

5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 137049048) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID137049048
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2Cc2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-14-11-19(27)25-21(23-14)26-18(12-15-7-3-2-4-8-15)17(13-22-26)20(28)24-16-9-5-6-10-16/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,24,28)(H,23,25,27)
InChIKeyVLFIZFPYDYBGGO-UHFFFAOYSA-N
XLogP2.53
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-N-(1-methyl-1-phenylethyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
CID 44230798
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-benzhydryl-4-hydroxy-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
CID 44231442
6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231560
6-oxo-N-[(1R)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231673
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231792
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231793
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-(4-fluorobenzyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081191
N-2,4-difluorophenyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-4-pyrazolecarboxamide
CID 137010044
4-ethyl-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 156208572

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (CID 137049048) is 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is Cc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is VLFIZFPYDYBGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-11-19(27)25-21(23-14)26-18(12-15-7-3-2-4-8-15)17(13-22-26)20(28)24-16-9-5-6-10-16/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,24,28)(H,23,25,27).
What are the key properties of 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 137049048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).