4-(3-methylpyrazol-1-yl)benzaldehyde

C11H10N2O — CID 20514100

IUPAC4-(3-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccn(-c2ccc(C=O)cc2)n1
InChIInChI=1S/C11H10N2O/c1-9-6-7-13(12-9)11-4-2-10(8-14)3-5-11/h2-8H,1H3
InChIKeyILCHHKXIMMFZNI-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.99
Rot. Bonds2

About 4-(3-methylpyrazol-1-yl)benzaldehyde

4-(3-methylpyrazol-1-yl)benzaldehyde (PubChem CID 20514100) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(3-methylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(3-methylpyrazol-1-yl)benzaldehyde
PubChem CID20514100
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(3-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccn(-c2ccc(C=O)cc2)n1
InChIInChI=1S/C11H10N2O/c1-9-6-7-13(12-9)11-4-2-10(8-14)3-5-11/h2-8H,1H3
InChIKeyILCHHKXIMMFZNI-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-methylpyrazol-1-yl)benzaldehyde 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-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
2-(1H-pyrazol-1-yl)benzaldehyde
CID 965866
4-(1H-Pyrazol-1-yl)benzaldehyde
CID 2776477
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 2497380
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557
1-Phenyl-1H-pyrazole-4-carbaldehyde
CID 952089
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 4-(3-methylpyrazol-1-yl)benzaldehyde (CID 20514100) is 4-(3-methylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 4-(3-methylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 4-(3-methylpyrazol-1-yl)benzaldehyde is Cc1ccn(-c2ccc(C=O)cc2)n1.
What is the InChIKey of 4-(3-methylpyrazol-1-yl)benzaldehyde?
The InChIKey is ILCHHKXIMMFZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-6-7-13(12-9)11-4-2-10(8-14)3-5-11/h2-8H,1H3.
What are the key properties of 4-(3-methylpyrazol-1-yl)benzaldehyde?
4-(3-methylpyrazol-1-yl)benzaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 20514100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).