6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

C18H22F3N3 — CID 51348726

IUPAC6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(CC(F)(F)F)c(-c2ccc3c(c2)C(N(C)C)CC3)c1C
InChIInChI=1S/C18H22F3N3/c1-11-12(2)22-24(10-18(19,20)21)17(11)14-6-5-13-7-8-16(23(3)4)15(13)9-14/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyYXXJERGVVROXLZ-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.28
Rot. Bonds3

About 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 51348726) has the molecular formula C18H22F3N3 and a molecular weight of 337.39 g/mol. Its IUPAC name is 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID51348726
Molecular FormulaC18H22F3N3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC Name6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(CC(F)(F)F)c(-c2ccc3c(c2)C(N(C)C)CC3)c1C
InChIInChI=1S/C18H22F3N3/c1-11-12(2)22-24(10-18(19,20)21)17(11)14-6-5-13-7-8-16(23(3)4)15(13)9-14/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyYXXJERGVVROXLZ-UHFFFAOYSA-N
XLogP4.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine 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 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 51348726) is 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is Cc1nn(CC(F)(F)F)c(-c2ccc3c(c2)C(N(C)C)CC3)c1C.
What is the InChIKey of 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YXXJERGVVROXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3/c1-11-12(2)22-24(10-18(19,20)21)17(11)14-6-5-13-7-8-16(23(3)4)15(13)9-14/h5-6,9,16H,7-8,10H2,1-4H3.
What are the key properties of 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 337.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 51348726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).