1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde

C12H12N2O — CID 43471151

IUPAC1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCc1ccc(Cn2cc(C=O)cn2)cc1
InChIInChI=1S/C12H12N2O/c1-10-2-4-11(5-3-10)7-14-8-12(9-15)6-13-14/h2-6,8-9H,7H2,1H3
InChIKeyRVSRSMWMTFWNOX-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.05
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde

1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde (PubChem CID 43471151) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
PubChem CID43471151
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCc1ccc(Cn2cc(C=O)cn2)cc1
InChIInChI=1S/C12H12N2O/c1-10-2-4-11(5-3-10)7-14-8-12(9-15)6-13-14/h2-6,8-9H,7H2,1H3
InChIKeyRVSRSMWMTFWNOX-UHFFFAOYSA-N
XLogP2.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4-methylphenyl)methyl]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-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carbaldehyde
CID 62727818
4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 16640517
1-[(2-chloro-3-pyridinyl)methyl]pyrazole-4-carbaldehyde
CID 164719188
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde
CID 118380728
1-(3-chloropropyl)pyrazole-4-carbaldehyde
CID 54594067
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
1-[(2,3-dimethoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 118380635
(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
CID 9092774

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde (CID 43471151) is 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde is Cc1ccc(Cn2cc(C=O)cn2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is RVSRSMWMTFWNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10-2-4-11(5-3-10)7-14-8-12(9-15)6-13-14/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 43471151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).