N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C18H22F2N4O2 — CID 120930337

IUPACN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1OCC(F)F
InChIInChI=1S/C18H22F2N4O2/c1-13-3-4-14(11-15(13)26-12-16(19)20)23-17(25)18(5-8-21-9-6-18)24-10-2-7-22-24/h2-4,7,10-11,16,21H,5-6,8-9,12H2,1H3,(H,23,25)
InChIKeyZSAPJANINWOFCY-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.55
Rot. Bonds6

About N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120930337) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120930337
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1OCC(F)F
InChIInChI=1S/C18H22F2N4O2/c1-13-3-4-14(11-15(13)26-12-16(19)20)23-17(25)18(5-8-21-9-6-18)24-10-2-7-22-24/h2-4,7,10-11,16,21H,5-6,8-9,12H2,1H3,(H,23,25)
InChIKeyZSAPJANINWOFCY-UHFFFAOYSA-N
XLogP2.55
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119768211
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918139
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924281
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120930337) is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1OCC(F)F.
What is the InChIKey of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ZSAPJANINWOFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-13-3-4-14(11-15(13)26-12-16(19)20)23-17(25)18(5-8-21-9-6-18)24-10-2-7-22-24/h2-4,7,10-11,16,21H,5-6,8-9,12H2,1H3,(H,23,25).
What are the key properties of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120930337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).