1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

C23H25FN4O2 — CID 45232408

IUPAC1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C23H25FN4O2/c1-30-19-10-8-16(9-11-19)22-18(14-27-12-4-5-17(13-27)23(25)29)15-28(26-22)21-7-3-2-6-20(21)24/h2-3,6-11,15,17H,4-5,12-14H2,1H3,(H2,25,29)
InChIKeyCHBJQIGQSWUVRP-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.38
Rot. Bonds6

About 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 45232408) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID45232408
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C23H25FN4O2/c1-30-19-10-8-16(9-11-19)22-18(14-27-12-4-5-17(13-27)23(25)29)15-28(26-22)21-7-3-2-6-20(21)24/h2-3,6-11,15,17H,4-5,12-14H2,1H3,(H2,25,29)
InChIKeyCHBJQIGQSWUVRP-UHFFFAOYSA-N
XLogP3.38
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (CID 45232408) is 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is CHBJQIGQSWUVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-30-19-10-8-16(9-11-19)22-18(14-27-12-4-5-17(13-27)23(25)29)15-28(26-22)21-7-3-2-6-20(21)24/h2-3,6-11,15,17H,4-5,12-14H2,1H3,(H2,25,29).
What are the key properties of 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45232408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).