(E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol

C19H16ClF3N2O — CID 69404529

About (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol

(E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol (PubChem CID 69404529) has the molecular formula C19H16ClF3N2O and a molecular weight of 380.80 g/mol. Its IUPAC name is (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol.

Molecular Properties

• Compound Name: (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
• PubChem CID: 69404529
• Molecular Formula: C19H16ClF3N2O
• Molecular Weight: 380.80 g/mol
• Exact Mass: 380.09
• IUPAC Name: (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
• SMILES: Cc1cc(Cl)ccc1Cn1nc(/C=C/CO)c2ccc(C(F)(F)F)cc21
• InChI: InChI=1S/C19H16ClF3N2O/c1-12-9-15(20)6-4-13(12)11-25-18-10-14(19(21,22)23)5-7-16(18)17(24-25)3-2-8-26/h2-7,9-10,26H,8,11H2,1H3/b3-2+
• InChIKey: QCPGUFAEXNYAOD-NSCUHMNNSA-N
• XLogP: 5.07
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.80
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol?

The IUPAC name of (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol (CID 69404529) is (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol.

What is the SMILES notation for (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol?

The canonical SMILES for (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol is Cc1cc(Cl)ccc1Cn1nc(/C=C/CO)c2ccc(C(F)(F)F)cc21.

What is the InChIKey of (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol?

The InChIKey is QCPGUFAEXNYAOD-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H16ClF3N2O/c1-12-9-15(20)6-4-13(12)11-25-18-10-14(19(21,22)23)5-7-16(18)17(24-25)3-2-8-26/h2-7,9-10,26H,8,11H2,1H3/b3-2+.

What are the key properties of (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol?

(E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol has a molecular weight of 380.80 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol is sourced from PubChem (CID 69404529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).