5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C18H14F4N4O — CID 71580124

IUPAC5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)n2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C18H14F4N4O/c1-10-15(25-26(2)16(10)11-6-8-12(19)9-7-11)17(27)24-14-5-3-4-13(23-14)18(20,21)22/h3-9H,1-2H3,(H,23,24,27)
InChIKeyXEOUHKRCFUTCQO-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.20
Rot. Bonds3

About 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 71580124) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID71580124
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC Name5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)n2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C18H14F4N4O/c1-10-15(25-26(2)16(10)11-6-8-12(19)9-7-11)17(27)24-14-5-3-4-13(23-14)18(20,21)22/h3-9H,1-2H3,(H,23,24,27)
InChIKeyXEOUHKRCFUTCQO-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 71580124) is 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is Cc1c(C(=O)Nc2cccc(C(F)(F)F)n2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is XEOUHKRCFUTCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c1-10-15(25-26(2)16(10)11-6-8-12(19)9-7-11)17(27)24-14-5-3-4-13(23-14)18(20,21)22/h3-9H,1-2H3,(H,23,24,27).
What are the key properties of 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 378.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,4-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71580124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).