1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole

C9H12F3N3 — CID 62371096

IUPAC1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CCNC2)n1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-2-4-15(14-8)6-7-1-3-13-5-7/h2,4,7,13H,1,3,5-6H2
InChIKeyGQLJJMXDMXNQIK-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.51
Rot. Bonds2

About 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole

1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 62371096) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID62371096
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CCNC2)n1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-2-4-15(14-8)6-7-1-3-13-5-7/h2,4,7,13H,1,3,5-6H2
InChIKeyGQLJJMXDMXNQIK-UHFFFAOYSA-N
XLogP1.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
CID 115761326
ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine
CID 153355444
N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 129465854
4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 84734901
1-(pyrrolidin-3-ylmethyl)-4-[4-(trifluoromethyl)phenoxy]pyrazole
CID 117125078
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115026061
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 63912882
4-[3-(trifluoromethyl)pyrazol-1-yl]azepane
CID 63903132
N-(2-pyrrolidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119537660
1-(pyrrolidin-3-ylmethyl)-1,2,4-triazole-3-carbonitrile
CID 62949372
2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
CID 171991200
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole (CID 62371096) is 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(CC2CCNC2)n1.
What is the InChIKey of 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is GQLJJMXDMXNQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)8-2-4-15(14-8)6-7-1-3-13-5-7/h2,4,7,13H,1,3,5-6H2.
What are the key properties of 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 219.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 62371096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).