5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

C25H29FN4O2 — CID 55951612

IUPAC5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3ccccc3OC)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C25H29FN4O2/c1-3-23-22(16-27-30(23)21-10-8-19(26)9-11-21)25(31)28-20-12-14-29(15-13-20)17-18-6-4-5-7-24(18)32-2/h4-11,16,20H,3,12-15,17H2,1-2H3,(H,28,31)
InChIKeyPENVNUXRRFLWGK-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.98
Rot. Bonds7

About 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 55951612) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID55951612
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3ccccc3OC)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C25H29FN4O2/c1-3-23-22(16-27-30(23)21-10-8-19(26)9-11-21)25(31)28-20-12-14-29(15-13-20)17-18-6-4-5-7-24(18)32-2/h4-11,16,20H,3,12-15,17H2,1-2H3,(H,28,31)
InChIKeyPENVNUXRRFLWGK-UHFFFAOYSA-N
XLogP3.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 55951357
5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55946015
5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
CID 60615723
5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 55951354
N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55952465
1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55978323
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979355
1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 55959425
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55949549
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55867113
5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 56552513

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 55951612) is 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is CCc1c(C(=O)NC2CCN(Cc3ccccc3OC)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is PENVNUXRRFLWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-3-23-22(16-27-30(23)21-10-8-19(26)9-11-21)25(31)28-20-12-14-29(15-13-20)17-18-6-4-5-7-24(18)32-2/h4-11,16,20H,3,12-15,17H2,1-2H3,(H,28,31).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 55951612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).