5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde

C11H13N3O — CID 115004650

IUPAC5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde
SMILESCc1c(-c2ccc(C=O)n2C)cnn1C
InChIInChI=1S/C11H13N3O/c1-8-10(6-12-14(8)3)11-5-4-9(7-15)13(11)2/h4-7H,1-3H3
InChIKeyQPAURGDHXCYHCG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.55
Rot. Bonds2

About 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde

5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde (PubChem CID 115004650) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde
PubChem CID115004650
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde
SMILESCc1c(-c2ccc(C=O)n2C)cnn1C
InChIInChI=1S/C11H13N3O/c1-8-10(6-12-14(8)3)11-5-4-9(7-15)13(11)2/h4-7H,1-3H3
InChIKeyQPAURGDHXCYHCG-UHFFFAOYSA-N
XLogP1.55
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde
CID 96590420
1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde
CID 82374319
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
CID 66097421
2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde
CID 66098059
1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde
CID 28811544
methanol;2-methylpyrazole-3-carbaldehyde
CID 143813492
2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde
CID 82383993
2-(1,5-dimethylpyrazol-4-yl)aniline
CID 66096169
4-tert-butyl-1,5-dimethylpyrazole;formamide
CID 155706087
1-methyl-5-methylsulfonylpyrrole-2-carbaldehyde
CID 100952304
2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine
CID 112559067
2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892639

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde (CID 115004650) is 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde is Cc1c(-c2ccc(C=O)n2C)cnn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde?
The InChIKey is QPAURGDHXCYHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-10(6-12-14(8)3)11-5-4-9(7-15)13(11)2/h4-7H,1-3H3.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde?
5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde is sourced from PubChem (CID 115004650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).