4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid

C18H18FN3O2 — CID 118064827

IUPAC4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C18H18FN3O2/c19-13-3-6-15-16(9-20-17(15)7-13)12-8-21-22(10-12)14-4-1-11(2-5-14)18(23)24/h3,6-11,14,20H,1-2,4-5H2,(H,23,24)
InChIKeySGNZLTICRMRTTE-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.99
Rot. Bonds3

About 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid

4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 118064827) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
PubChem CID118064827
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C18H18FN3O2/c19-13-3-6-15-16(9-20-17(15)7-13)12-8-21-22(10-12)14-4-1-11(2-5-14)18(23)24/h3,6-11,14,20H,1-2,4-5H2,(H,23,24)
InChIKeySGNZLTICRMRTTE-UHFFFAOYSA-N
XLogP3.99
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (CID 118064827) is 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is SGNZLTICRMRTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-3-6-15-16(9-20-17(15)7-13)12-8-21-22(10-12)14-4-1-11(2-5-14)18(23)24/h3,6-11,14,20H,1-2,4-5H2,(H,23,24).
What are the key properties of 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118064827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).