N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C12H20N4O — CID 112669514

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CCCNC1
InChIInChI=1S/C12H20N4O/c1-9-11(8-16(2)15-9)7-14-12(17)10-4-3-5-13-6-10/h8,10,13H,3-7H2,1-2H3,(H,14,17)
InChIKeySNPLJIKCNGGYAL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.34
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 112669514) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID112669514
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CCCNC1
InChIInChI=1S/C12H20N4O/c1-9-11(8-16(2)15-9)7-14-12(17)10-4-3-5-13-6-10/h8,10,13H,3-7H2,1-2H3,(H,14,17)
InChIKeySNPLJIKCNGGYAL-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 102805576
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112668644
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299043
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 114956004
(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
CID 96672355
(2R,5S)-5-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945620
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide
CID 112669965
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 83631129
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 112669577
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 115989984

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 112669514) is N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cc1nn(C)cc1CNC(=O)C1CCCNC1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is SNPLJIKCNGGYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(8-16(2)15-9)7-14-12(17)10-4-3-5-13-6-10/h8,10,13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 112669514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).