N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide

C21H30N4O — CID 119296838

IUPACN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCCN1
InChIInChI=1S/C21H30N4O/c1-25(21(26)19-13-7-8-14-22-19)15-9-3-6-12-18-16-20(24-23-18)17-10-4-2-5-11-17/h2,4-5,10-11,16,19,22H,3,6-9,12-15H2,1H3,(H,23,24)
InChIKeyUBYQVDGQNBMPGD-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.39
Rot. Bonds8

About N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide (PubChem CID 119296838) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
PubChem CID119296838
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCCN1
InChIInChI=1S/C21H30N4O/c1-25(21(26)19-13-7-8-14-22-19)15-9-3-6-12-18-16-20(24-23-18)17-10-4-2-5-11-17/h2,4-5,10-11,16,19,22H,3,6-9,12-15H2,1H3,(H,23,24)
InChIKeyUBYQVDGQNBMPGD-UHFFFAOYSA-N
XLogP3.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]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

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
CID 119296837
3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737084
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119746043
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpiperidine-3-carboxamide
CID 119301819
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide
CID 119737107
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
CID 55960147
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553208
2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 55970665
N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide
CID 55814815
N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736663

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide (CID 119296838) is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide is CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCCN1.
What is the InChIKey of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide?
The InChIKey is UBYQVDGQNBMPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-25(21(26)19-13-7-8-14-22-19)15-9-3-6-12-18-16-20(24-23-18)17-10-4-2-5-11-17/h2,4-5,10-11,16,19,22H,3,6-9,12-15H2,1H3,(H,23,24).
What are the key properties of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide?
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide is sourced from PubChem (CID 119296838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).