1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C25H18ClF4N5O — CID 21366645

IUPAC1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
InChIInChI=1S/C25H18ClF4N5O/c1-34-9-8-31-23(34)16-4-7-20(19(27)12-16)32-24(36)21-13-22(25(28,29)30)33-35(21)18-6-3-14-10-17(26)5-2-15(14)11-18/h2-7,10-13H,8-9H2,1H3,(H,32,36)
InChIKeyIRMIUWHWCBCSNB-UHFFFAOYSA-N
MW515.90 g/mol
LogP5.78
Rot. Bonds4

About 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 21366645) has the molecular formula C25H18ClF4N5O and a molecular weight of 515.90 g/mol. Its IUPAC name is 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID21366645
Molecular FormulaC25H18ClF4N5O
Molecular Weight515.90 g/mol
Exact Mass515.11
IUPAC Name1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
InChIInChI=1S/C25H18ClF4N5O/c1-34-9-8-31-23(34)16-4-7-20(19(27)12-16)32-24(36)21-13-22(25(28,29)30)33-35(21)18-6-3-14-10-17(26)5-2-15(14)11-18/h2-7,10-13H,8-9H2,1H3,(H,32,36)
InChIKeyIRMIUWHWCBCSNB-UHFFFAOYSA-N
XLogP5.78
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.90
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 21366645) is 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CN1CCN=C1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1.
What is the InChIKey of 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is IRMIUWHWCBCSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF4N5O/c1-34-9-8-31-23(34)16-4-7-20(19(27)12-16)32-24(36)21-13-22(25(28,29)30)33-35(21)18-6-3-14-10-17(26)5-2-15(14)11-18/h2-7,10-13H,8-9H2,1H3,(H,32,36).
What are the key properties of 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 515.90 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 21366645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).