1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

C23H24F2N4O — CID 45196019

IUPAC1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C23H24F2N4O/c1-15-5-2-3-7-19(15)22-17(13-28-10-4-6-16(12-28)23(26)30)14-29(27-22)21-9-8-18(24)11-20(21)25/h2-3,5,7-9,11,14,16H,4,6,10,12-13H2,1H3,(H2,26,30)
InChIKeyAVIXWNUGZDCXHI-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.82
Rot. Bonds5

About 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 45196019) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID45196019
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C23H24F2N4O/c1-15-5-2-3-7-19(15)22-17(13-28-10-4-6-16(12-28)23(26)30)14-29(27-22)21-9-8-18(24)11-20(21)25/h2-3,5,7-9,11,14,16H,4,6,10,12-13H2,1H3,(H2,26,30)
InChIKeyAVIXWNUGZDCXHI-UHFFFAOYSA-N
XLogP3.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 70732263
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-4-piperidin-1-ylpiperidine
CID 72545822
1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807
[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70757494
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
CID 63288757
1-[(2-carbamothioyl-5-fluorophenyl)methyl]piperidine-3-carboxamide
CID 64763390
(2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol
CID 28698029
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743
ethyl (3S)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763740
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-1-[(2S)-1,4-dioxan-2-yl]methanamine
CID 26322474
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (CID 45196019) is 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is AVIXWNUGZDCXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c1-15-5-2-3-7-19(15)22-17(13-28-10-4-6-16(12-28)23(26)30)14-29(27-22)21-9-8-18(24)11-20(21)25/h2-3,5,7-9,11,14,16H,4,6,10,12-13H2,1H3,(H2,26,30).
What are the key properties of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45196019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).