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

C11H16F3N3 — CID 116621384

IUPAC1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CCCN2CCCC2)n1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)10-4-9-17(15-10)8-3-7-16-5-1-2-6-16/h4,9H,1-3,5-8H2
InChIKeyAOTJFYKTYNSBMW-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.39
Rot. Bonds4

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

1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole (PubChem CID 116621384) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
PubChem CID116621384
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CCCN2CCCC2)n1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)10-4-9-17(15-10)8-3-7-16-5-1-2-6-16/h4,9H,1-3,5-8H2
InChIKeyAOTJFYKTYNSBMW-UHFFFAOYSA-N
XLogP2.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine
CID 154541150
2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one
CID 79569630
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
CID 106802540
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
CID 106800335
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
CID 106801647
1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
CID 115761326
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
CID 63579585
3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine
CID 151289970
1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide
CID 22574275

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole (CID 116621384) is 1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(CCCN2CCCC2)n1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is AOTJFYKTYNSBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)10-4-9-17(15-10)8-3-7-16-5-1-2-6-16/h4,9H,1-3,5-8H2.
What are the key properties of 1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole?
1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 247.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116621384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).