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

C23H21F3N6O — CID 59493180

IUPAC(9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1cc(-c2cnn(CCCc3nnnn3C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H21F3N6O/c1-14-10-17(15-12-27-32(13-15)9-5-8-20-28-29-30-31(20)2)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
InChIKeyCMQDTCBAKCJGEK-JOCHJYFZSA-N
MW454.46 g/mol
LogP3.79
Rot. Bonds5

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

(9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493180) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is (9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name(9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493180
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name(9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1cc(-c2cnn(CCCc3nnnn3C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H21F3N6O/c1-14-10-17(15-12-27-32(13-15)9-5-8-20-28-29-30-31(20)2)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
InChIKeyCMQDTCBAKCJGEK-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

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Related Compounds

(9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59493080
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
CID 71164723
N-[3-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propyl]methanesulfonamide
CID 59492886
2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanoic acid
CID 59492526
5-[4-[(9R)-2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2,2-dimethylpentanoic acid
CID 118516831
2-(2,2-dimethylpropyl)-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492934
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 162559121
2-amino-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanoic acid
CID 159871794
bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane
CID 159110857
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
CID 59493073
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
CID 59492737

Frequently Asked Questions

What is the IUPAC name of (9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of (9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (CID 59493180) is (9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for (9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for (9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is Cc1cc(-c2cnn(CCCc3nnnn3C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of (9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is CMQDTCBAKCJGEK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-14-10-17(15-12-27-32(13-15)9-5-8-20-28-29-30-31(20)2)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-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
(9R)-2-methyl-4-[1-[3-(1-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-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).