1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole

C9H8F3N3 — CID 136967042

IUPAC1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc[nH]1
InChIInChI=1S/C9H8F3N3/c1-15-7(6-3-2-4-13-6)5-8(14-15)9(10,11)12/h2-5,13H,1H3
InChIKeyODXCEEHEJZYWTA-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.43
Rot. Bonds1

About 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole

1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 136967042) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID136967042
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc[nH]1
InChIInChI=1S/C9H8F3N3/c1-15-7(6-3-2-4-13-6)5-8(14-15)9(10,11)12/h2-5,13H,1H3
InChIKeyODXCEEHEJZYWTA-UHFFFAOYSA-N
XLogP2.43
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861950
1-methyl-5-(1H-pyrrol-2-yl)pyrazole
CID 137013321
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one
CID 137183406
1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 116861982
5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 155293864
ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 178058226
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole
CID 91271091
1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine
CID 169386944
2-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine
CID 75203457
1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 162651648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole (CID 136967042) is 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1-c1ccc[nH]1.
What is the InChIKey of 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is ODXCEEHEJZYWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-15-7(6-3-2-4-13-6)5-8(14-15)9(10,11)12/h2-5,13H,1H3.
What are the key properties of 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole?
1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 215.18 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 136967042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).