2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide

C26H22F4N4O — CID 118171152

IUPAC2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C2CC2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C26H22F4N4O/c1-14-23(15(2)34(33-14)13-16-6-10-18(27)11-7-16)32-25(35)20-12-22(17-8-9-17)31-24-19(20)4-3-5-21(24)26(28,29)30/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,32,35)
InChIKeyKEYUWJVYPVKJTA-UHFFFAOYSA-N
MW482.48 g/mol
LogP6.38
Rot. Bonds5

About 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide

2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide (PubChem CID 118171152) has the molecular formula C26H22F4N4O and a molecular weight of 482.48 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide
PubChem CID118171152
Molecular FormulaC26H22F4N4O
Molecular Weight482.48 g/mol
Exact Mass482.17
IUPAC Name2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C2CC2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C26H22F4N4O/c1-14-23(15(2)34(33-14)13-16-6-10-18(27)11-7-16)32-25(35)20-12-22(17-8-9-17)31-24-19(20)4-3-5-21(24)26(28,29)30/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,32,35)
InChIKeyKEYUWJVYPVKJTA-UHFFFAOYSA-N
XLogP6.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171105
2-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-6-fluoroquinoline-4-carboxamide
CID 118171179
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylquinoline-4-carboxamide
CID 1236021
6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171277
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methyl-4-oxo-1H-quinoline-8-carboxamide
CID 46975615
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(trifluoromethyl)benzamide
CID 19409804
4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451385
N-[1-[(4-fluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-propanoylquinoline-4-carboxamide
CID 159947517
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,8-naphthyridine-4-carboxamide
CID 145209059
4-fluoro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19405943
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460148

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide (CID 118171152) is 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide is Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C2CC2)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide?
The InChIKey is KEYUWJVYPVKJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N4O/c1-14-23(15(2)34(33-14)13-16-6-10-18(27)11-7-16)32-25(35)20-12-22(17-8-9-17)31-24-19(20)4-3-5-21(24)26(28,29)30/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,32,35).
What are the key properties of 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide?
2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide has a molecular weight of 482.48 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide is sourced from PubChem (CID 118171152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).