1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid

C18H16N4O2 — CID 51353058

IUPAC1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid
SMILESN#Cc1cn(C2CCCC2)c2ccc(-n3cc(C(=O)O)cn3)cc12
InChIInChI=1S/C18H16N4O2/c19-8-12-10-21(14-3-1-2-4-14)17-6-5-15(7-16(12)17)22-11-13(9-20-22)18(23)24/h5-7,9-11,14H,1-4H2,(H,23,24)
InChIKeyDKQOSCXKHQXNAR-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.51
Rot. Bonds3

About 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid

1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid (PubChem CID 51353058) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid
PubChem CID51353058
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid
SMILESN#Cc1cn(C2CCCC2)c2ccc(-n3cc(C(=O)O)cn3)cc12
InChIInChI=1S/C18H16N4O2/c19-8-12-10-21(14-3-1-2-4-14)17-6-5-15(7-16(12)17)22-11-13(9-20-22)18(23)24/h5-7,9-11,14H,1-4H2,(H,23,24)
InChIKeyDKQOSCXKHQXNAR-UHFFFAOYSA-N
XLogP3.51
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid (CID 51353058) is 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid is N#Cc1cn(C2CCCC2)c2ccc(-n3cc(C(=O)O)cn3)cc12.
What is the InChIKey of 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid?
The InChIKey is DKQOSCXKHQXNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-8-12-10-21(14-3-1-2-4-14)17-6-5-15(7-16(12)17)22-11-13(9-20-22)18(23)24/h5-7,9-11,14H,1-4H2,(H,23,24).
What are the key properties of 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid?
1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-1-cyclopentylindol-5-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 51353058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).