N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide

C13H22N4O — CID 79236153

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCCCN1
InChIInChI=1S/C13H22N4O/c1-9-11(10(2)17(3)16-9)8-15-13(18)12-6-4-5-7-14-12/h12,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyRWAFJAMNFRBHDT-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.80
Rot. Bonds3

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide (PubChem CID 79236153) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
PubChem CID79236153
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCCCN1
InChIInChI=1S/C13H22N4O/c1-9-11(10(2)17(3)16-9)8-15-13(18)12-6-4-5-7-14-12/h12,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyRWAFJAMNFRBHDT-UHFFFAOYSA-N
XLogP0.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 102779685
(2R)-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidine-2-carboxamide
CID 124697517
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
(2S)-N-[[2,4,6-triethyl-3,5-bis[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 50906055
1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 106634107
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
N-[(1-methylimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 63293631
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
CID 64568957
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide (CID 79236153) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1CCCCN1.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
The InChIKey is RWAFJAMNFRBHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-11(10(2)17(3)16-9)8-15-13(18)12-6-4-5-7-14-12/h12,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 79236153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).