1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide

C23H25FN4O — CID 55868469

IUPAC1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1
InChIInChI=1S/C23H25FN4O/c1-17-6-4-5-14-27(17)16-18-9-11-19(12-10-18)25-23(29)21-13-15-28(26-21)22-8-3-2-7-20(22)24/h2-3,7-13,15,17H,4-6,14,16H2,1H3,(H,25,29)
InChIKeyISSLMESDOVRNDF-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.64
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 55868469) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
PubChem CID55868469
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1
InChIInChI=1S/C23H25FN4O/c1-17-6-4-5-14-27(17)16-18-9-11-19(12-10-18)25-23(29)21-13-15-28(26-21)22-8-3-2-7-20(22)24/h2-3,7-13,15,17H,4-6,14,16H2,1H3,(H,25,29)
InChIKeyISSLMESDOVRNDF-UHFFFAOYSA-N
XLogP4.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 94806275
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474
1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506879
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 78868746
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
CID 110910871
N-[3-[(dimethylamino)methyl]phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 86980854
1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 55841366
6-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 51952202
5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 112828644
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide (CID 55868469) is 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide is CC1CCCCN1Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is ISSLMESDOVRNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-17-6-4-5-14-27(17)16-18-9-11-19(12-10-18)25-23(29)21-13-15-28(26-21)22-8-3-2-7-20(22)24/h2-3,7-13,15,17H,4-6,14,16H2,1H3,(H,25,29).
What are the key properties of 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55868469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).