1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde

C14H13N3O — CID 82388354

IUPAC1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(-c2cc3ccccc3n2C)n1
InChIInChI=1S/C14H13N3O/c1-16-8-11(9-18)14(15-16)13-7-10-5-3-4-6-12(10)17(13)2/h3-9H,1-2H3
InChIKeyPECWTZKULXAHHA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde

1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde (PubChem CID 82388354) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde
PubChem CID82388354
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(-c2cc3ccccc3n2C)n1
InChIInChI=1S/C14H13N3O/c1-16-8-11(9-18)14(15-16)13-7-10-5-3-4-6-12(10)17(13)2/h3-9H,1-2H3
InChIKeyPECWTZKULXAHHA-UHFFFAOYSA-N
XLogP2.39
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
2-methoxy-5-(1-methylindol-2-yl)benzaldehyde
CID 141069508
3-(1-methylindol-2-yl)thiophene-2-carbaldehyde
CID 82387318
benzene;1-methyl-2-phenylindole
CID 158316839
1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
CID 96619449
1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141286
(5Z)-3-ethyl-5-[[3-(1-methylindol-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2180036
3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde
CID 114798131
3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde
CID 43141289
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazole-4-carbaldehyde
CID 66232952
5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115109269

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde (CID 82388354) is 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde is Cn1cc(C=O)c(-c2cc3ccccc3n2C)n1.
What is the InChIKey of 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is PECWTZKULXAHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-16-8-11(9-18)14(15-16)13-7-10-5-3-4-6-12(10)17(13)2/h3-9H,1-2H3.
What are the key properties of 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde?
1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 239.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 82388354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).