3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol

C18H17F3N2O — CID 135507439

IUPAC3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESCc1cc(O)ccc1-c1nn(C(C)C)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H17F3N2O/c1-10(2)23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)9-11(13)3/h4-10,24H,1-3H3
InChIKeyKHSAABIGSPXJBL-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.32
Rot. Bonds2

About 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol

3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol (PubChem CID 135507439) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol.

Molecular Properties

Compound Name3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol
PubChem CID135507439
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESCc1cc(O)ccc1-c1nn(C(C)C)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H17F3N2O/c1-10(2)23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)9-11(13)3/h4-10,24H,1-3H3
InChIKeyKHSAABIGSPXJBL-UHFFFAOYSA-N
XLogP5.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol?
The IUPAC name of 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol (CID 135507439) is 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol.
What is the SMILES notation for 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol?
The canonical SMILES for 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol is Cc1cc(O)ccc1-c1nn(C(C)C)c2c(C(F)(F)F)cccc12.
What is the InChIKey of 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol?
The InChIKey is KHSAABIGSPXJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-10(2)23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)9-11(13)3/h4-10,24H,1-3H3.
What are the key properties of 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol?
3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol has a molecular weight of 334.34 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol is sourced from PubChem (CID 135507439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).