1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide

C21H20F2N4O — CID 176618501

IUPAC1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2ccc(-c3cn[nH]c3)c(F)c2F)CC1
InChIInChI=1S/C21H20F2N4O/c22-19-17(15-12-24-25-13-15)6-7-18(20(19)23)27-10-8-14(9-11-27)21(28)26-16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,24,25)(H,26,28)
InChIKeyKRPHWYIMFUGUKQ-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.21
Rot. Bonds4

About 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide

1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 176618501) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide
PubChem CID176618501
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2ccc(-c3cn[nH]c3)c(F)c2F)CC1
InChIInChI=1S/C21H20F2N4O/c22-19-17(15-12-24-25-13-15)6-7-18(20(19)23)27-10-8-14(9-11-27)21(28)26-16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,24,25)(H,26,28)
InChIKeyKRPHWYIMFUGUKQ-UHFFFAOYSA-N
XLogP4.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53202067
N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58310850
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 95156850
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 90609526
6-[4-(phenylcarbamoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 133358652
N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 58310669
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17152720

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide (CID 176618501) is 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(c2ccc(-c3cn[nH]c3)c(F)c2F)CC1.
What is the InChIKey of 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is KRPHWYIMFUGUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-19-17(15-12-24-25-13-15)6-7-18(20(19)23)27-10-8-14(9-11-27)21(28)26-16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,24,25)(H,26,28).
What are the key properties of 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide?
1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 176618501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).