6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide

C20H13ClF3N3O2 — CID 2796316

IUPAC6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C20H13ClF3N3O2/c21-14-1-6-17-12(10-14)9-13(11-29-17)19(28)25-15-2-4-16(5-3-15)27-8-7-18(26-27)20(22,23)24/h1-10H,11H2,(H,25,28)
InChIKeyHBNIALJVBHSRFZ-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.96
Rot. Bonds3

About 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide

6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide (PubChem CID 2796316) has the molecular formula C20H13ClF3N3O2 and a molecular weight of 419.79 g/mol. Its IUPAC name is 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide
PubChem CID2796316
Molecular FormulaC20H13ClF3N3O2
Molecular Weight419.79 g/mol
Exact Mass419.06
IUPAC Name6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C20H13ClF3N3O2/c21-14-1-6-17-12(10-14)9-13(11-29-17)19(28)25-15-2-4-16(5-3-15)27-8-7-18(26-27)20(22,23)24/h1-10H,11H2,(H,25,28)
InChIKeyHBNIALJVBHSRFZ-UHFFFAOYSA-N
XLogP4.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide (CID 2796316) is 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide is O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide?
The InChIKey is HBNIALJVBHSRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O2/c21-14-1-6-17-12(10-14)9-13(11-29-17)19(28)25-15-2-4-16(5-3-15)27-8-7-18(26-27)20(22,23)24/h1-10H,11H2,(H,25,28).
What are the key properties of 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide?
6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide has a molecular weight of 419.79 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 2796316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).