N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide

C23H14ClF7N4O — CID 19791322

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC(c2ccc(C(F)(F)F)cn2)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C23H14ClF7N4O/c24-18-7-6-15(9-17(18)23(29,30)31)33-21(36)35-11-16(19-8-3-13(10-32-19)22(26,27)28)20(34-35)12-1-4-14(25)5-2-12/h1-10,16H,11H2,(H,33,36)
InChIKeyANUCCKHOWQFETJ-UHFFFAOYSA-N
MW530.83 g/mol
LogP6.95
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 19791322) has the molecular formula C23H14ClF7N4O and a molecular weight of 530.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID19791322
Molecular FormulaC23H14ClF7N4O
Molecular Weight530.83 g/mol
Exact Mass530.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC(c2ccc(C(F)(F)F)cn2)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C23H14ClF7N4O/c24-18-7-6-15(9-17(18)23(29,30)31)33-21(36)35-11-16(19-8-3-13(10-32-19)22(26,27)28)20(34-35)12-1-4-14(25)5-2-12/h1-10,16H,11H2,(H,33,36)
InChIKeyANUCCKHOWQFETJ-UHFFFAOYSA-N
XLogP6.95
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.83
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628128
N,4-bis(4-chlorophenyl)-5-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14075830
5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazole-2-carboxamide
CID 18987687
4-(5-chloro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 15239257
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
N-(4-benzoylphenyl)-5-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171984919
5-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277380
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832381
5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277348
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175
5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13275000

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide (CID 19791322) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC(c2ccc(C(F)(F)F)cn2)C(c2ccc(F)cc2)=N1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is ANUCCKHOWQFETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF7N4O/c24-18-7-6-15(9-17(18)23(29,30)31)33-21(36)35-11-16(19-8-3-13(10-32-19)22(26,27)28)20(34-35)12-1-4-14(25)5-2-12/h1-10,16H,11H2,(H,33,36).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 530.83 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 19791322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).