1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid

C17H14N4O2 — CID 51352995

IUPAC1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid
SMILESN#Cc1cn(CC2CC2)c2ccc(-n3cc(C(=O)O)cn3)cc12
InChIInChI=1S/C17H14N4O2/c18-6-12-9-20(8-11-1-2-11)16-4-3-14(5-15(12)16)21-10-13(7-19-21)17(22)23/h3-5,7,9-11H,1-2,8H2,(H,22,23)
InChIKeyMHZLIWHOFCJYKU-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.81
Rot. Bonds4

About 1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid

1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid (PubChem CID 51352995) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid
PubChem CID51352995
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid
SMILESN#Cc1cn(CC2CC2)c2ccc(-n3cc(C(=O)O)cn3)cc12
InChIInChI=1S/C17H14N4O2/c18-6-12-9-20(8-11-1-2-11)16-4-3-14(5-15(12)16)21-10-13(7-19-21)17(22)23/h3-5,7,9-11H,1-2,8H2,(H,22,23)
InChIKeyMHZLIWHOFCJYKU-UHFFFAOYSA-N
XLogP2.81
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.81
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-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid (CID 51352995) is 1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid is N#Cc1cn(CC2CC2)c2ccc(-n3cc(C(=O)O)cn3)cc12.
What is the InChIKey of 1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid?
The InChIKey is MHZLIWHOFCJYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-6-12-9-20(8-11-1-2-11)16-4-3-14(5-15(12)16)21-10-13(7-19-21)17(22)23/h3-5,7,9-11H,1-2,8H2,(H,22,23).
What are the key properties of 1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid?
1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid has a molecular weight of 306.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 51352995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).