2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide

C21H15F3N4O — CID 137498224

IUPAC2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)cnc2c1
InChIInChI=1S/C21H15F3N4O/c1-28-19(8-9-26-28)20(29)27-17-7-4-14-10-15(12-25-18(14)11-17)13-2-5-16(6-3-13)21(22,23)24/h2-12H,1H3,(H,27,29)
InChIKeyFBPMYYJDJCBCDJ-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.91
Rot. Bonds3

About 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide

2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide (PubChem CID 137498224) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide
PubChem CID137498224
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)cnc2c1
InChIInChI=1S/C21H15F3N4O/c1-28-19(8-9-26-28)20(29)27-17-7-4-14-10-15(12-25-18(14)11-17)13-2-5-16(6-3-13)21(22,23)24/h2-12H,1H3,(H,27,29)
InChIKeyFBPMYYJDJCBCDJ-UHFFFAOYSA-N
XLogP4.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide (CID 137498224) is 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)cnc2c1.
What is the InChIKey of 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide?
The InChIKey is FBPMYYJDJCBCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-28-19(8-9-26-28)20(29)27-17-7-4-14-10-15(12-25-18(14)11-17)13-2-5-16(6-3-13)21(22,23)24/h2-12H,1H3,(H,27,29).
What are the key properties of 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide?
2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 137498224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).