1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole

C10H14F3N3 — CID 116861980

IUPAC1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole
SMILESCN1CCC(c2cc(C(F)(F)F)nn2C)C1
InChIInChI=1S/C10H14F3N3/c1-15-4-3-7(6-15)8-5-9(10(11,12)13)14-16(8)2/h5,7H,3-4,6H2,1-2H3
InChIKeyJQIXWOSKTWRSKL-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.86
Rot. Bonds1

About 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole

1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 116861980) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole
PubChem CID116861980
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole
SMILESCN1CCC(c2cc(C(F)(F)F)nn2C)C1
InChIInChI=1S/C10H14F3N3/c1-15-4-3-7(6-15)8-5-9(10(11,12)13)14-16(8)2/h5,7H,3-4,6H2,1-2H3
InChIKeyJQIXWOSKTWRSKL-UHFFFAOYSA-N
XLogP1.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole 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

4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
CID 168907313
1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
CID 83391956
7-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907011
(5R)-7-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexyl]-2-thia-7-azaspiro[4.4]nonane
CID 168907043
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 95827880
1-methyl-5-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 116858713
tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate
CID 178139852
1-methyl-3-(trifluoromethyl)-5-[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyrazole
CID 118434196
N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline
CID 155689131
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
1-methyl-5-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 59356398

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole (CID 116861980) is 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole is CN1CCC(c2cc(C(F)(F)F)nn2C)C1.
What is the InChIKey of 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is JQIXWOSKTWRSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-15-4-3-7(6-15)8-5-9(10(11,12)13)14-16(8)2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole?
1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 233.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116861980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).