(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C16H20N6O — CID 94796113

IUPAC(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H20N6O/c23-15(19-14-9-13(20-21-14)11-4-5-11)12-3-1-8-22(10-12)16-17-6-2-7-18-16/h2,6-7,9,11-12H,1,3-5,8,10H2,(H2,19,20,21,23)/t12-/m1/s1
InChIKeyQYBMHRUYPJHJKA-GFCCVEGCSA-N
MW312.38 g/mol
LogP1.93
Rot. Bonds4

About (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 94796113) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID94796113
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H20N6O/c23-15(19-14-9-13(20-21-14)11-4-5-11)12-3-1-8-22(10-12)16-17-6-2-7-18-16/h2,6-7,9,11-12H,1,3-5,8,10H2,(H2,19,20,21,23)/t12-/m1/s1
InChIKeyQYBMHRUYPJHJKA-GFCCVEGCSA-N
XLogP1.93
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513893
(3R)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513892
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 99805424
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
(3R)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556820
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 55808596

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 94796113) is (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1cc(C2CC2)[nH]n1)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is QYBMHRUYPJHJKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N6O/c23-15(19-14-9-13(20-21-14)11-4-5-11)12-3-1-8-22(10-12)16-17-6-2-7-18-16/h2,6-7,9,11-12H,1,3-5,8,10H2,(H2,19,20,21,23)/t12-/m1/s1.
What are the key properties of (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 94796113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).