1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride

C13H13ClF3N3 — CID 156537428

IUPAC1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
SMILESCl.Cn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CNC2
InChIInChI=1S/C13H12F3N3.ClH/c1-19-11-7-17-6-10(11)12(18-19)8-2-4-9(5-3-8)13(14,15)16;/h2-5,17H,6-7H2,1H3;1H
InChIKeyVUKDCRQLWLNDGQ-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.13
Rot. Bonds1

About 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride

1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride (PubChem CID 156537428) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
PubChem CID156537428
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
SMILESCl.Cn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CNC2
InChIInChI=1S/C13H12F3N3.ClH/c1-19-11-7-17-6-10(11)12(18-19)8-2-4-9(5-3-8)13(14,15)16;/h2-5,17H,6-7H2,1H3;1H
InChIKeyVUKDCRQLWLNDGQ-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 83850624
5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole
CID 70791508
5-chloro-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 175213535
1-methyl-3-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 162753819
1-(4-fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 162534609
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585641
3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 84647281
[1-methyl-4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl] hydrogen carbonate
CID 122698891
1-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 110540583
3-(4-fluorophenyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 141360491
1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 142653978
1-methyl-3-(1-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 70967701

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride?
The IUPAC name of 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride (CID 156537428) is 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride.
What is the SMILES notation for 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride?
The canonical SMILES for 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride is Cl.Cn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CNC2.
What is the InChIKey of 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride?
The InChIKey is VUKDCRQLWLNDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3.ClH/c1-19-11-7-17-6-10(11)12(18-19)8-2-4-9(5-3-8)13(14,15)16;/h2-5,17H,6-7H2,1H3;1H.
What are the key properties of 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride?
1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride has a molecular weight of 303.72 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride is sourced from PubChem (CID 156537428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).