N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide

C23H17ClF4N4O — CID 139628128

IUPACN-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
SMILESO=C(CN1CC(c2ccc(C(F)(F)F)cn2)C(c2ccc(F)cc2)=N1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClF4N4O/c24-16-4-8-18(9-5-16)30-21(33)13-32-12-19(20-10-3-15(11-29-20)23(26,27)28)22(31-32)14-1-6-17(25)7-2-14/h1-11,19H,12-13H2,(H,30,33)
InChIKeyUPUOVNHEOPGPMS-UHFFFAOYSA-N
MW476.86 g/mol
LogP5.34
Rot. Bonds5

About N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide

N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide (PubChem CID 139628128) has the molecular formula C23H17ClF4N4O and a molecular weight of 476.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
PubChem CID139628128
Molecular FormulaC23H17ClF4N4O
Molecular Weight476.86 g/mol
Exact Mass476.10
IUPAC NameN-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
SMILESO=C(CN1CC(c2ccc(C(F)(F)F)cn2)C(c2ccc(F)cc2)=N1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClF4N4O/c24-16-4-8-18(9-5-16)30-21(33)13-32-12-19(20-10-3-15(11-29-20)23(26,27)28)22(31-32)14-1-6-17(25)7-2-14/h1-11,19H,12-13H2,(H,30,33)
InChIKeyUPUOVNHEOPGPMS-UHFFFAOYSA-N
XLogP5.34
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.86
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628081
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide
CID 19791322
2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628072
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide
CID 139656805
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-nitrophenyl)acetamide
CID 139656354
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 139656682
methyl 4-[[2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]acetyl]amino]benzoate
CID 139656451
2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 139633805
2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628114
5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18987639
5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide (CID 139628128) is N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide is O=C(CN1CC(c2ccc(C(F)(F)F)cn2)C(c2ccc(F)cc2)=N1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide?
The InChIKey is UPUOVNHEOPGPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF4N4O/c24-16-4-8-18(9-5-16)30-21(33)13-32-12-19(20-10-3-15(11-29-20)23(26,27)28)22(31-32)14-1-6-17(25)7-2-14/h1-11,19H,12-13H2,(H,30,33).
What are the key properties of N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide?
N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide has a molecular weight of 476.86 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide is sourced from PubChem (CID 139628128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).