(9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol

C23H21F3N6O — CID 59493080

IUPAC(9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1cc(-c2cnn(CCCc3nnn(C)n3)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H21F3N6O/c1-14-10-17(15-12-27-32(13-15)9-5-8-20-28-30-31(2)29-20)21-16-6-3-4-7-18(16)22(33,19(21)11-14)23(24,25)26/h3-4,6-7,10-13,33H,5,8-9H2,1-2H3/t22-/m1/s1
InChIKeyFUDMBONNEMBKFF-JOCHJYFZSA-N
MW454.46 g/mol
LogP3.79
Rot. Bonds5

About (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol

(9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493080) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name(9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493080
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name(9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1cc(-c2cnn(CCCc3nnn(C)n3)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H21F3N6O/c1-14-10-17(15-12-27-32(13-15)9-5-8-20-28-30-31(2)29-20)21-16-6-3-4-7-18(16)22(33,19(21)11-14)23(24,25)26/h3-4,6-7,10-13,33H,5,8-9H2,1-2H3/t22-/m1/s1
InChIKeyFUDMBONNEMBKFF-JOCHJYFZSA-N
XLogP3.79
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol 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 (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (CID 59493080) is (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is Cc1cc(-c2cnn(CCCc3nnn(C)n3)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is FUDMBONNEMBKFF-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-14-10-17(15-12-27-32(13-15)9-5-8-20-28-30-31(2)29-20)21-16-6-3-4-7-18(16)22(33,19(21)11-14)23(24,25)26/h3-4,6-7,10-13,33H,5,8-9H2,1-2H3/t22-/m1/s1.
What are the key properties of (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
(9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 454.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).