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

C24H24F4N4O — CID 112843324

IUPAC1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1
InChIInChI=1S/C24H24F4N4O/c1-16-6-2-3-7-17(16)15-31-12-10-18(11-13-31)30-23(33)19-14-29-32(22(19)24(26,27)28)21-9-5-4-8-20(21)25/h2-9,14,18H,10-13,15H2,1H3,(H,30,33)
InChIKeyFCUZNTHDTQAFAJ-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.73
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112843324) has the molecular formula C24H24F4N4O and a molecular weight of 460.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID112843324
Molecular FormulaC24H24F4N4O
Molecular Weight460.48 g/mol
Exact Mass460.19
IUPAC Name1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1
InChIInChI=1S/C24H24F4N4O/c1-16-6-2-3-7-17(16)15-31-12-10-18(11-13-31)30-23(33)19-14-29-32(22(19)24(26,27)28)21-9-5-4-8-20(21)25/h2-9,14,18H,10-13,15H2,1H3,(H,30,33)
InChIKeyFCUZNTHDTQAFAJ-UHFFFAOYSA-N
XLogP4.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119390307
1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55735271
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55867113
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112832819
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112827081
N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119617660
1-(2-fluorophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821467
[4-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
CID 119563921
1-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813879
1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112846127
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119617665

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112843324) is 1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccccc1CN1CCC(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FCUZNTHDTQAFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O/c1-16-6-2-3-7-17(16)15-31-12-10-18(11-13-31)30-23(33)19-14-29-32(22(19)24(26,27)28)21-9-5-4-8-20(21)25/h2-9,14,18H,10-13,15H2,1H3,(H,30,33).
What are the key properties of 1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 4.73, 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-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112843324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).