1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile

C22H17F4N5O3 — CID 59437271

IUPAC1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile
SMILESN#Cc1nn(CC(O)CO)cc1C(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C22H17F4N5O3/c23-15-2-4-16(5-3-15)31-20-6-1-14(7-13(20)9-28-31)21(34,22(24,25)26)18-11-30(10-17(33)12-32)29-19(18)8-27/h1-7,9,11,17,32-34H,10,12H2
InChIKeyGXOZBSJIBFPZPR-UHFFFAOYSA-N
MW475.40 g/mol
LogP2.38
Rot. Bonds6

About 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile

1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile (PubChem CID 59437271) has the molecular formula C22H17F4N5O3 and a molecular weight of 475.40 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile
PubChem CID59437271
Molecular FormulaC22H17F4N5O3
Molecular Weight475.40 g/mol
Exact Mass475.13
IUPAC Name1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile
SMILESN#Cc1nn(CC(O)CO)cc1C(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C22H17F4N5O3/c23-15-2-4-16(5-3-15)31-20-6-1-14(7-13(20)9-28-31)21(34,22(24,25)26)18-11-30(10-17(33)12-32)29-19(18)8-27/h1-7,9,11,17,32-34H,10,12H2
InChIKeyGXOZBSJIBFPZPR-UHFFFAOYSA-N
XLogP2.38
TPSA120.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile 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 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile?
The IUPAC name of 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile (CID 59437271) is 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile is N#Cc1nn(CC(O)CO)cc1C(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile?
The InChIKey is GXOZBSJIBFPZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O3/c23-15-2-4-16(5-3-15)31-20-6-1-14(7-13(20)9-28-31)21(34,22(24,25)26)18-11-30(10-17(33)12-32)29-19(18)8-27/h1-7,9,11,17,32-34H,10,12H2.
What are the key properties of 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile?
1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile has a molecular weight of 475.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile is sourced from PubChem (CID 59437271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).