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

C16H12N4O2 — CID 51352996

IUPAC1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid
SMILESN#Cc1cn(C2CC2)c2ccc(-n3cc(C(=O)O)cn3)cc12
InChIInChI=1S/C16H12N4O2/c17-6-10-8-19(12-1-2-12)15-4-3-13(5-14(10)15)20-9-11(7-18-20)16(21)22/h3-5,7-9,12H,1-2H2,(H,21,22)
InChIKeyABWHPGGLUKLHSP-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.73
Rot. Bonds3

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

1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid (PubChem CID 51352996) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid
PubChem CID51352996
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid
SMILESN#Cc1cn(C2CC2)c2ccc(-n3cc(C(=O)O)cn3)cc12
InChIInChI=1S/C16H12N4O2/c17-6-10-8-19(12-1-2-12)15-4-3-13(5-14(10)15)20-9-11(7-18-20)16(21)22/h3-5,7-9,12H,1-2H2,(H,21,22)
InChIKeyABWHPGGLUKLHSP-UHFFFAOYSA-N
XLogP2.73
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.73
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-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid (CID 51352996) is 1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid is N#Cc1cn(C2CC2)c2ccc(-n3cc(C(=O)O)cn3)cc12.
What is the InChIKey of 1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid?
The InChIKey is ABWHPGGLUKLHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-6-10-8-19(12-1-2-12)15-4-3-13(5-14(10)15)20-9-11(7-18-20)16(21)22/h3-5,7-9,12H,1-2H2,(H,21,22).
What are the key properties of 1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid?
1-(3-cyano-1-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 2.73, 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-cyclopropylindol-5-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 51352996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).