N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C20H27ClN4O — CID 120934276

IUPACN-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC(Cc1ccccc1)C1CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H26N4O.ClH/c25-19(20(9-12-21-13-10-20)24-14-4-11-22-24)23-18(17-7-8-17)15-16-5-2-1-3-6-16;/h1-6,11,14,17-18,21H,7-10,12-13,15H2,(H,23,25);1H
InChIKeyVSUJYQZLJZJVNL-UHFFFAOYSA-N
MW374.92 g/mol
LogP2.52
Rot. Bonds6

About N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120934276) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120934276
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC(Cc1ccccc1)C1CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H26N4O.ClH/c25-19(20(9-12-21-13-10-20)24-14-4-11-22-24)23-18(17-7-8-17)15-16-5-2-1-3-6-16;/h1-6,11,14,17-18,21H,7-10,12-13,15H2,(H,23,25);1H
InChIKeyVSUJYQZLJZJVNL-UHFFFAOYSA-N
XLogP2.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926238
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936430
N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928772
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936431
N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918589
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120934276) is N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NC(Cc1ccccc1)C1CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VSUJYQZLJZJVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.ClH/c25-19(20(9-12-21-13-10-20)24-14-4-11-22-24)23-18(17-7-8-17)15-16-5-2-1-3-6-16;/h1-6,11,14,17-18,21H,7-10,12-13,15H2,(H,23,25);1H.
What are the key properties of N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 374.92 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120934276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).