(1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol

C20H19ClFN3O — CID 47814924

IUPAC(1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C20H19ClFN3O/c1-12-17(20(21)25(24-12)15-8-6-14(22)7-9-15)11-23-19-16-5-3-2-4-13(16)10-18(19)26/h2-9,18-19,23,26H,10-11H2,1H3/t18-,19+/m0/s1
InChIKeyRXMBDVSWAAWSKA-RBUKOAKNSA-N
MW371.84 g/mol
LogP3.72
Rot. Bonds4

About (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 47814924) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID47814924
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name(1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C20H19ClFN3O/c1-12-17(20(21)25(24-12)15-8-6-14(22)7-9-15)11-23-19-16-5-3-2-4-13(16)10-18(19)26/h2-9,18-19,23,26H,10-11H2,1H3/t18-,19+/m0/s1
InChIKeyRXMBDVSWAAWSKA-RBUKOAKNSA-N
XLogP3.72
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-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 (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol (CID 47814924) is (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol is Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is RXMBDVSWAAWSKA-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-12-17(20(21)25(24-12)15-8-6-14(22)7-9-15)11-23-19-16-5-3-2-4-13(16)10-18(19)26/h2-9,18-19,23,26H,10-11H2,1H3/t18-,19+/m0/s1.
What are the key properties of (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 371.84 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 47814924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).