1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid

C14H13N3O2 — CID 63747713

IUPAC1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid
SMILESCn1cc(Cn2ccc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C14H13N3O2/c1-16-8-10(7-15-16)9-17-5-4-11-2-3-12(14(18)19)6-13(11)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyXJDVAQSSKAFZGI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.12
Rot. Bonds3

About 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid

1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid (PubChem CID 63747713) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid
PubChem CID63747713
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid
SMILESCn1cc(Cn2ccc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C14H13N3O2/c1-16-8-10(7-15-16)9-17-5-4-11-2-3-12(14(18)19)6-13(11)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyXJDVAQSSKAFZGI-UHFFFAOYSA-N
XLogP2.12
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid (CID 63747713) is 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid is Cn1cc(Cn2ccc3ccc(C(=O)O)cc32)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid?
The InChIKey is XJDVAQSSKAFZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-16-8-10(7-15-16)9-17-5-4-11-2-3-12(14(18)19)6-13(11)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid?
1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid is sourced from PubChem (CID 63747713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).