2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine

C17H19FN4 — CID 71306441

IUPAC2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccc(F)cc2)c(-n2cccc2)n1
InChIInChI=1S/C17H19FN4/c1-20(2)11-12-22-13-16(14-5-7-15(18)8-6-14)17(19-22)21-9-3-4-10-21/h3-10,13H,11-12H2,1-2H3
InChIKeyZCQVHVWVDAEXBJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.04
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine

2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 71306441) has the molecular formula C17H19FN4 and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID71306441
Molecular FormulaC17H19FN4
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccc(F)cc2)c(-n2cccc2)n1
InChIInChI=1S/C17H19FN4/c1-20(2)11-12-22-13-16(14-5-7-15(18)8-6-14)17(19-22)21-9-3-4-10-21/h3-10,13H,11-12H2,1-2H3
InChIKeyZCQVHVWVDAEXBJ-UHFFFAOYSA-N
XLogP3.04
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrazole
CID 18674213
6-fluoro-1-(1-(6-(4-methyl-1H-pyrazol-1-yl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76332839
3-(2-Fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 155591385
3-(4-Fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole
CID 132472245
4-(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-ylamine
CID 1472680
4-[4-(4-fluorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
CID 1472687
1-(6-fluoro-2-pyridinyl)-4-phenyl-1H-pyrazol-3-amine
CID 1478415
1-(1-ethyl-1H-imidazol-2-yl)-N-{[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 16188413
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(6-methylpyridin-2-yl)piperazine
CID 16188573
1-[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 16191936
1-[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 16192279
(3aR,6aS)-2-(6-phenylpyridazin-3-yl)-5-(pyridin-2-ylmethyl)octahydropyrrolo[3,4-c]pyrrole
CID 46225138

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine (CID 71306441) is 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(-c2ccc(F)cc2)c(-n2cccc2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is ZCQVHVWVDAEXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c1-20(2)11-12-22-13-16(14-5-7-15(18)8-6-14)17(19-22)21-9-3-4-10-21/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 298.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-pyrrol-1-ylpyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 71306441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).