(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C15H20N6O — CID 99805424

IUPAC(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)nn1C
InChIInChI=1S/C15H20N6O/c1-11-9-13(19-20(11)2)18-14(22)12-5-3-8-21(10-12)15-16-6-4-7-17-15/h4,6-7,9,12H,3,5,8,10H2,1-2H3,(H,18,19,22)/t12-/m0/s1
InChIKeyRFVZFHLWSFBATH-LBPRGKRZSA-N
MW300.37 g/mol
LogP1.37
Rot. Bonds3

About (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 99805424) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID99805424
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)nn1C
InChIInChI=1S/C15H20N6O/c1-11-9-13(19-20(11)2)18-14(22)12-5-3-8-21(10-12)15-16-6-4-7-17-15/h4,6-7,9,12H,3,5,8,10H2,1-2H3,(H,18,19,22)/t12-/m0/s1
InChIKeyRFVZFHLWSFBATH-LBPRGKRZSA-N
XLogP1.37
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94796113
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-(2-benzyl-5-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55580302
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 99805424) is (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is Cc1cc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)nn1C.
What is the InChIKey of (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is RFVZFHLWSFBATH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-9-13(19-20(11)2)18-14(22)12-5-3-8-21(10-12)15-16-6-4-7-17-15/h4,6-7,9,12H,3,5,8,10H2,1-2H3,(H,18,19,22)/t12-/m0/s1.
What are the key properties of (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 99805424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).