3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane

C16H20FN3 — CID 161404196

IUPAC3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
SMILESC.CCCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C15H16FN3.CH4/c1-2-3-6-19-10-11(8-18-19)14-9-17-15-7-12(16)4-5-13(14)15;/h4-5,7-10,17H,2-3,6H2,1H3;1H4
InChIKeyVUPVTTQOPVKTBZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.61
Rot. Bonds4

About 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane

3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane (PubChem CID 161404196) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane.

Molecular Properties

Compound Name3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
PubChem CID161404196
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
SMILESC.CCCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C15H16FN3.CH4/c1-2-3-6-19-10-11(8-18-19)14-9-17-15-7-12(16)4-5-13(14)15;/h4-5,7-10,17H,2-3,6H2,1H3;1H4
InChIKeyVUPVTTQOPVKTBZ-UHFFFAOYSA-N
XLogP4.61
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
CID 159037937
6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole
CID 118060550
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 118060628
1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane
CID 158907003
6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine;methane
CID 159302679
5-fluoro-2-(1-propylpyrazol-4-yl)phenol
CID 83130519
5-(1-butylpyrazol-4-yl)naphthalen-1-amine
CID 172677743
4-(1-butylpyrazol-4-yl)-3-fluoro-2-methylaniline
CID 171906285
2-amino-1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;methane
CID 158576212
4-(1-butylpyrazol-4-yl)naphthalen-1-ol
CID 171396893
6-fluoro-3-(2-methyl-4-pyridinyl)-1H-indole
CID 160738701
6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole
CID 118060455

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane?
The IUPAC name of 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane (CID 161404196) is 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane.
What is the SMILES notation for 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane?
The canonical SMILES for 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane is C.CCCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1.
What is the InChIKey of 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane?
The InChIKey is VUPVTTQOPVKTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3.CH4/c1-2-3-6-19-10-11(8-18-19)14-9-17-15-7-12(16)4-5-13(14)15;/h4-5,7-10,17H,2-3,6H2,1H3;1H4.
What are the key properties of 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane?
3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane has a molecular weight of 273.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane is sourced from PubChem (CID 161404196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).