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

C17H23N5O2 — CID 137049041

IUPACN-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2C(C)C)n1
InChIInChI=1S/C17H23N5O2/c1-10(2)15-13(16(24)20-12-6-4-5-7-12)9-18-22(15)17-19-11(3)8-14(23)21-17/h8-10,12H,4-7H2,1-3H3,(H,20,24)(H,19,21,23)
InChIKeyINJUATZBIMTKKQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds4

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

N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 137049041) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID137049041
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2C(C)C)n1
InChIInChI=1S/C17H23N5O2/c1-10(2)15-13(16(24)20-12-6-4-5-7-12)9-18-22(15)17-19-11(3)8-14(23)21-17/h8-10,12H,4-7H2,1-3H3,(H,20,24)(H,19,21,23)
InChIKeyINJUATZBIMTKKQ-UHFFFAOYSA-N
XLogP2.06
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-3-carboxamide
CID 137049042
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
2-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)acetyl]-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137128030
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46454828
N-cyclohexyl-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 53370585
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 136662620
4-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229971
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 136962376
5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(pyrazin-2-ylmethyl)pyrazole-4-carboxamide
CID 137128031
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
trans-(1R,2R)-2-[[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135753010
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136962389

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide (CID 137049041) is N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide is Cc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2C(C)C)n1.
What is the InChIKey of N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is INJUATZBIMTKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10(2)15-13(16(24)20-12-6-4-5-7-12)9-18-22(15)17-19-11(3)8-14(23)21-17/h8-10,12H,4-7H2,1-3H3,(H,20,24)(H,19,21,23).
What are the key properties of N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide?
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137049041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).