(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide

C12H20N4O — CID 81139176

IUPAC(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)[C@H]2CCCNC2)cn1
InChIInChI=1S/C12H20N4O/c1-9(2)16-8-11(7-14-16)15-12(17)10-4-3-5-13-6-10/h7-10,13H,3-6H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyQNAXPNMOFWOQLI-JTQLQIEISA-N
MW236.32 g/mol
LogP1.40
Rot. Bonds3

About (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide

(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide (PubChem CID 81139176) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
PubChem CID81139176
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)[C@H]2CCCNC2)cn1
InChIInChI=1S/C12H20N4O/c1-9(2)16-8-11(7-14-16)15-12(17)10-4-3-5-13-6-10/h7-10,13H,3-6H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyQNAXPNMOFWOQLI-JTQLQIEISA-N
XLogP1.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62902855
(2S)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 62902493
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070
3-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 81044757
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 60945562
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
2-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 64824835
2-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 62904242
N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide
CID 62902334
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 119309115
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611
N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871178

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide (CID 81139176) is (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide is CC(C)n1cc(NC(=O)[C@H]2CCCNC2)cn1.
What is the InChIKey of (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide?
The InChIKey is QNAXPNMOFWOQLI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16-8-11(7-14-16)15-12(17)10-4-3-5-13-6-10/h7-10,13H,3-6H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide?
(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81139176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).