5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide

C20H28N4O — CID 78875791

IUPAC5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccccc2CN2CCCCC2C)n[nH]1
InChIInChI=1S/C20H28N4O/c1-3-18-12-19(23-22-18)20(25)21-13-16-9-4-5-10-17(16)14-24-11-7-6-8-15(24)2/h4-5,9-10,12,15H,3,6-8,11,13-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHOEBRDVPSJSFAO-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.28
Rot. Bonds6

About 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 78875791) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID78875791
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccccc2CN2CCCCC2C)n[nH]1
InChIInChI=1S/C20H28N4O/c1-3-18-12-19(23-22-18)20(25)21-13-16-9-4-5-10-17(16)14-24-11-7-6-8-15(24)2/h4-5,9-10,12,15H,3,6-8,11,13-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHOEBRDVPSJSFAO-UHFFFAOYSA-N
XLogP3.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-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-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 55718070
4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 46478370
1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 126771493
methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate
CID 78875789
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46470705
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877885
(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092356

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 78875791) is 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCc2ccccc2CN2CCCCC2C)n[nH]1.
What is the InChIKey of 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HOEBRDVPSJSFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-18-12-19(23-22-18)20(25)21-13-16-9-4-5-10-17(16)14-24-11-7-6-8-15(24)2/h4-5,9-10,12,15H,3,6-8,11,13-14H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78875791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).