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

C17H20F2N4O2 — CID 120935836

IUPACN-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(OCC(F)F)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H20F2N4O2/c18-15(19)12-25-14-4-2-13(3-5-14)22-16(24)17(6-9-20-10-7-17)23-11-1-8-21-23/h1-5,8,11,15,20H,6-7,9-10,12H2,(H,22,24)
InChIKeyGTYGRQXSNXRLRE-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.24
Rot. Bonds6

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

N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120935836) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120935836
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC NameN-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(OCC(F)F)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H20F2N4O2/c18-15(19)12-25-14-4-2-13(3-5-14)22-16(24)17(6-9-20-10-7-17)23-11-1-8-21-23/h1-5,8,11,15,20H,6-7,9-10,12H2,(H,22,24)
InChIKeyGTYGRQXSNXRLRE-UHFFFAOYSA-N
XLogP2.24
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120920544
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930337
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925648
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931422
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120935836) is N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(Nc1ccc(OCC(F)F)cc1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is GTYGRQXSNXRLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c18-15(19)12-25-14-4-2-13(3-5-14)22-16(24)17(6-9-20-10-7-17)23-11-1-8-21-23/h1-5,8,11,15,20H,6-7,9-10,12H2,(H,22,24).
What are the key properties of N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120935836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).