N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride

C16H24ClF3N4O — CID 120937262

IUPACN-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(N(CCC(F)(F)F)CC1CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C16H23F3N4O.ClH/c17-16(18,19)6-11-22(12-13-2-3-13)14(24)15(4-8-20-9-5-15)23-10-1-7-21-23;/h1,7,10,13,20H,2-6,8-9,11-12H2;1H
InChIKeyGBINAHDLVQAQMP-UHFFFAOYSA-N
MW380.84 g/mol
LogP2.57
Rot. Bonds6

About N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride

N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120937262) has the molecular formula C16H24ClF3N4O and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120937262
Molecular FormulaC16H24ClF3N4O
Molecular Weight380.84 g/mol
Exact Mass380.16
IUPAC NameN-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(N(CCC(F)(F)F)CC1CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C16H23F3N4O.ClH/c17-16(18,19)6-11-22(12-13-2-3-13)14(24)15(4-8-20-9-5-15)23-10-1-7-21-23;/h1,7,10,13,20H,2-6,8-9,11-12H2;1H
InChIKeyGBINAHDLVQAQMP-UHFFFAOYSA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936564
N-cyclopentyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920310
N-cyclohexyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120916893
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935357
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930880
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940896
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 120918558
N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride (CID 120937262) is N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(N(CCC(F)(F)F)CC1CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is GBINAHDLVQAQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O.ClH/c17-16(18,19)6-11-22(12-13-2-3-13)14(24)15(4-8-20-9-5-15)23-10-1-7-21-23;/h1,7,10,13,20H,2-6,8-9,11-12H2;1H.
What are the key properties of N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride?
N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 380.84 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120937262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).