5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride

C14H15ClF3N3O — CID 118355373

IUPAC5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1-c1cc([C@@H]2CCCN2)[nH]n1
InChIInChI=1S/C14H14F3N3O.ClH/c15-14(16,17)21-13-6-2-1-4-9(13)11-8-12(20-19-11)10-5-3-7-18-10;/h1-2,4,6,8,10,18H,3,5,7H2,(H,19,20);1H/t10-;/m0./s1
InChIKeyITHQJSLVWBCTAZ-PPHPATTJSA-N
MW333.74 g/mol
LogP3.82
Rot. Bonds3

About 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride

5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride (PubChem CID 118355373) has the molecular formula C14H15ClF3N3O and a molecular weight of 333.74 g/mol. Its IUPAC name is 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride
PubChem CID118355373
Molecular FormulaC14H15ClF3N3O
Molecular Weight333.74 g/mol
Exact Mass333.09
IUPAC Name5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1-c1cc([C@@H]2CCCN2)[nH]n1
InChIInChI=1S/C14H14F3N3O.ClH/c15-14(16,17)21-13-6-2-1-4-9(13)11-8-12(20-19-11)10-5-3-7-18-10;/h1-2,4,6,8,10,18H,3,5,7H2,(H,19,20);1H/t10-;/m0./s1
InChIKeyITHQJSLVWBCTAZ-PPHPATTJSA-N
XLogP3.82
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-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-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 138691157
2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259764
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171195984
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196390
[5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 138691244
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
CID 171195993
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195028
N-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)pyridin-2-amine
CID 155906949
2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine
CID 115069875

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride?
The IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride (CID 118355373) is 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride is Cl.FC(F)(F)Oc1ccccc1-c1cc([C@@H]2CCCN2)[nH]n1.
What is the InChIKey of 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride?
The InChIKey is ITHQJSLVWBCTAZ-PPHPATTJSA-N. The full InChI is InChI=1S/C14H14F3N3O.ClH/c15-14(16,17)21-13-6-2-1-4-9(13)11-8-12(20-19-11)10-5-3-7-18-10;/h1-2,4,6,8,10,18H,3,5,7H2,(H,19,20);1H/t10-;/m0./s1.
What are the key properties of 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride?
5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride has a molecular weight of 333.74 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-pyrrolidin-2-yl]-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazole;hydrochloride is sourced from PubChem (CID 118355373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).