N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C19H27ClN4O — CID 120926238

IUPACN-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccccc1CC(C)NC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-15-6-3-4-7-17(15)14-16(2)22-18(24)19(8-11-20-12-9-19)23-13-5-10-21-23;/h3-7,10,13,16,20H,8-9,11-12,14H2,1-2H3,(H,22,24);1H
InChIKeyWHAUCIKAGZHMLZ-UHFFFAOYSA-N
MW362.91 g/mol
LogP2.44
Rot. Bonds5

About N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120926238) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120926238
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccccc1CC(C)NC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-15-6-3-4-7-17(15)14-16(2)22-18(24)19(8-11-20-12-9-19)23-13-5-10-21-23;/h3-7,10,13,16,20H,8-9,11-12,14H2,1-2H3,(H,22,24);1H
InChIKeyWHAUCIKAGZHMLZ-UHFFFAOYSA-N
XLogP2.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
N-[1-(3,4-dimethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923777
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926922
N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918589
N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934276
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931578
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120926238) is N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1ccccc1CC(C)NC(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is WHAUCIKAGZHMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-15-6-3-4-7-17(15)14-16(2)22-18(24)19(8-11-20-12-9-19)23-13-5-10-21-23;/h3-7,10,13,16,20H,8-9,11-12,14H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120926238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).