5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

C21H28N4O2 — CID 124855451

IUPAC5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(-c2[nH]ncc2C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-15-4-2-5-16(12-15)20-19(13-22-24-20)21(26)23-17-7-9-25(10-8-17)14-18-6-3-11-27-18/h2,4-5,12-13,17-18H,3,6-11,14H2,1H3,(H,22,24)(H,23,26)/t18-/m0/s1
InChIKeyZBDZFHGGYAEHOW-SFHVURJKSA-N
MW368.48 g/mol
LogP2.76
Rot. Bonds5

About 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 124855451) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID124855451
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(-c2[nH]ncc2C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-15-4-2-5-16(12-15)20-19(13-22-24-20)21(26)23-17-7-9-25(10-8-17)14-18-6-3-11-27-18/h2,4-5,12-13,17-18H,3,6-11,14H2,1H3,(H,22,24)(H,23,26)/t18-/m0/s1
InChIKeyZBDZFHGGYAEHOW-SFHVURJKSA-N
XLogP2.76
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-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

N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118770888
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 70729452
5-(3-fluorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]-1H-pyrazole-4-carboxamide;formic acid
CID 166599892
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 124855451) is 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is Cc1cccc(-c2[nH]ncc2C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZBDZFHGGYAEHOW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-4-2-5-16(12-15)20-19(13-22-24-20)21(26)23-17-7-9-25(10-8-17)14-18-6-3-11-27-18/h2,4-5,12-13,17-18H,3,6-11,14H2,1H3,(H,22,24)(H,23,26)/t18-/m0/s1.
What are the key properties of 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124855451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).