2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol

C20H17F3N2O2 — CID 59492524

IUPAC2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C20H17F3N2O2/c1-12-8-13(14-10-24-25(11-14)6-7-26)9-17-18(12)15-4-2-3-5-16(15)19(17,27)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3
InChIKeyMSHURQRLHPBHCM-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.63
Rot. Bonds3

About 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol

2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492524) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492524
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C20H17F3N2O2/c1-12-8-13(14-10-24-25(11-14)6-7-26)9-17-18(12)15-4-2-3-5-16(15)19(17,27)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3
InChIKeyMSHURQRLHPBHCM-UHFFFAOYSA-N
XLogP3.63
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol (CID 59492524) is 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol is Cc1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is MSHURQRLHPBHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-12-8-13(14-10-24-25(11-14)6-7-26)9-17-18(12)15-4-2-3-5-16(15)19(17,27)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3.
What are the key properties of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol?
2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 374.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-methyl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).