(3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide

C18H26N6O — CID 125168484

IUPAC(3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@H](c3ccncn3)C2)n(CC(C)C)n1
InChIInChI=1S/C18H26N6O/c1-13(2)10-24-17(9-14(3)22-24)21-18(25)23-8-4-5-15(11-23)16-6-7-19-12-20-16/h6-7,9,12-13,15H,4-5,8,10-11H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyBRKFRRHQKZPYBH-HNNXBMFYSA-N
MW342.45 g/mol
LogP3.05
Rot. Bonds4

About (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide

(3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide (PubChem CID 125168484) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
PubChem CID125168484
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@H](c3ccncn3)C2)n(CC(C)C)n1
InChIInChI=1S/C18H26N6O/c1-13(2)10-24-17(9-14(3)22-24)21-18(25)23-8-4-5-15(11-23)16-6-7-19-12-20-16/h6-7,9,12-13,15H,4-5,8,10-11H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyBRKFRRHQKZPYBH-HNNXBMFYSA-N
XLogP3.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 97438463
N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 110096368
(3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126450449
4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 118779305
(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126445256
(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126440384
(3S)-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125440257
(3S)-N-[4-(azepan-1-yl)butyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126437475
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127
2-methyl-2-(4-methylphenyl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 110114958
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125177080

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide (CID 125168484) is (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC[C@H](c3ccncn3)C2)n(CC(C)C)n1.
What is the InChIKey of (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The InChIKey is BRKFRRHQKZPYBH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)10-24-17(9-14(3)22-24)21-18(25)23-8-4-5-15(11-23)16-6-7-19-12-20-16/h6-7,9,12-13,15H,4-5,8,10-11H2,1-3H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
(3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 125168484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).