1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole

C9H8F3N3 — CID 146289658

IUPAC1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole
SMILESCn1ccc(-n2ccc(C(F)(F)F)c2)n1
InChIInChI=1S/C9H8F3N3/c1-14-4-3-8(13-14)15-5-2-7(6-15)9(10,11)12/h2-6H,1H3
InChIKeyZFBUITQTCZJLEN-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.23
Rot. Bonds1

About 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole

1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole (PubChem CID 146289658) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole
PubChem CID146289658
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole
SMILESCn1ccc(-n2ccc(C(F)(F)F)c2)n1
InChIInChI=1S/C9H8F3N3/c1-14-4-3-8(13-14)15-5-2-7(6-15)9(10,11)12/h2-6H,1H3
InChIKeyZFBUITQTCZJLEN-UHFFFAOYSA-N
XLogP2.23
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile
CID 2797766
1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
CID 2797249
1-Ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole
CID 57239272
2-[(1-Tert-butyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736289
1-Methyl-5-pyrrol-1-yl-1h-pyrazole-4-carbonyl fluoride
CID 58724547
1-[1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrrol-2-yl]pyrazole
CID 138531979
1-[1-Methyl-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrrol-2-yl]pyrazole
CID 138531985
1-Methyl-4-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole
CID 146289657
2-[1-(Trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 156807319
3-[4-(Trifluoromethyl)pyrazol-1-yl]pyridazine
CID 172213617
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51301181
[3-[4-(Trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine
CID 80507924

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole (CID 146289658) is 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole is Cn1ccc(-n2ccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole?
The InChIKey is ZFBUITQTCZJLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-14-4-3-8(13-14)15-5-2-7(6-15)9(10,11)12/h2-6H,1H3.
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole?
1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole has a molecular weight of 215.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)pyrrol-1-yl]pyrazole is sourced from PubChem (CID 146289658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).