(3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide

C11H18N4O — CID 104618674

IUPAC(3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
SMILESCc1[nH]nc(NC(=O)[C@H]2CCCNC2)c1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-10(7)13-11(16)9-4-3-5-12-6-9/h9,12H,3-6H2,1-2H3,(H2,13,14,15,16)/t9-/m0/s1
InChIKeyFYRWFPUHODONJQ-VIFPVBQESA-N
MW222.29 g/mol
LogP0.96
Rot. Bonds2

About (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide

(3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 104618674) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
PubChem CID104618674
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
SMILESCc1[nH]nc(NC(=O)[C@H]2CCCNC2)c1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-10(7)13-11(16)9-4-3-5-12-6-9/h9,12H,3-6H2,1-2H3,(H2,13,14,15,16)/t9-/m0/s1
InChIKeyFYRWFPUHODONJQ-VIFPVBQESA-N
XLogP0.96
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
CID 112692863
(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 104914702
N-(4,5-dimethyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
CID 115609939
3-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-1,3-dicarboxamide
CID 112689240
N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119323739
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
1-cyclopentyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 115609973
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 119311516
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 43185838
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide (CID 104618674) is (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide is Cc1[nH]nc(NC(=O)[C@H]2CCCNC2)c1C.
What is the InChIKey of (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is FYRWFPUHODONJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-8(2)14-15-10(7)13-11(16)9-4-3-5-12-6-9/h9,12H,3-6H2,1-2H3,(H2,13,14,15,16)/t9-/m0/s1.
What are the key properties of (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide?
(3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 104618674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).