(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide

C11H18N4O — CID 104914702

IUPAC(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
SMILESCc1[nH]nc(NC(=O)[C@@H]2CCCCN2)c1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-10(7)13-11(16)9-5-3-4-6-12-9/h9,12H,3-6H2,1-2H3,(H2,13,14,15,16)/t9-/m0/s1
InChIKeyFDYZGVQLORDOGK-VIFPVBQESA-N
MW222.29 g/mol
LogP1.11
Rot. Bonds2

About (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide

(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide (PubChem CID 104914702) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
PubChem CID104914702
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
SMILESCc1[nH]nc(NC(=O)[C@@H]2CCCCN2)c1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-10(7)13-11(16)9-5-3-4-6-12-9/h9,12H,3-6H2,1-2H3,(H2,13,14,15,16)/t9-/m0/s1
InChIKeyFDYZGVQLORDOGK-VIFPVBQESA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 43547728
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-ethylpiperidine-2-carboxamide
CID 114429513
ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate
CID 110461403
N-(5-methyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 110837895
(3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 104618674
(2S)-N-(5-methyl-1,3-oxazol-4-yl)piperidine-2-carboxamide
CID 141479991
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
N-(2,3,6-trimethylphenyl)piperidine-2-carboxamide
CID 155036949
(2R)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxamide
CID 104914813
N-(4,5-dimethyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
CID 115609939
(2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide
CID 134710776
1-cyclopentyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 115609973

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide (CID 104914702) is (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide is Cc1[nH]nc(NC(=O)[C@@H]2CCCCN2)c1C.
What is the InChIKey of (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide?
The InChIKey is FDYZGVQLORDOGK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-8(2)14-15-10(7)13-11(16)9-5-3-4-6-12-9/h9,12H,3-6H2,1-2H3,(H2,13,14,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide?
(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 104914702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).