1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide

C20H14F4N6O — CID 86883513

IUPAC1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccc3F)c2)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C20H14F4N6O/c1-12-8-18(30(28-12)17-7-6-14(10-25-17)20(22,23)24)27-19(31)13-9-26-29(11-13)16-5-3-2-4-15(16)21/h2-11H,1H3,(H,27,31)
InChIKeyDVSYLCUHNVQIEU-UHFFFAOYSA-N
MW430.37 g/mol
LogP4.17
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 86883513) has the molecular formula C20H14F4N6O and a molecular weight of 430.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID86883513
Molecular FormulaC20H14F4N6O
Molecular Weight430.37 g/mol
Exact Mass430.12
IUPAC Name1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccc3F)c2)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C20H14F4N6O/c1-12-8-18(30(28-12)17-7-6-14(10-25-17)20(22,23)24)27-19(31)13-9-26-29(11-13)16-5-3-2-4-15(16)21/h2-11H,1H3,(H,27,31)
InChIKeyDVSYLCUHNVQIEU-UHFFFAOYSA-N
XLogP4.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526
1-methyl-3-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-1-prop-2-enylurea
CID 99823227
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 99453843
2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid
CID 122075538
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 17420505
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821285
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 47027818
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
N-(2-fluoro-4-methylphenyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 31312673
N-[3-bromo-5-(methanesulfonamido)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 169144760

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide (CID 86883513) is 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccccc3F)c2)n(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is DVSYLCUHNVQIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N6O/c1-12-8-18(30(28-12)17-7-6-14(10-25-17)20(22,23)24)27-19(31)13-9-26-29(11-13)16-5-3-2-4-15(16)21/h2-11H,1H3,(H,27,31).
What are the key properties of 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 430.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 86883513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).