5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde

C14H12N4O — CID 11207482

IUPAC5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccccc2)c(-n2ccnc2)c1C=O
InChIInChI=1S/C14H12N4O/c1-11-13(9-19)14(17-8-7-15-10-17)18(16-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVZWRDWUBSFWOPH-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.18
Rot. Bonds3

About 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde

5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde (PubChem CID 11207482) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde
PubChem CID11207482
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccccc2)c(-n2ccnc2)c1C=O
InChIInChI=1S/C14H12N4O/c1-11-13(9-19)14(17-8-7-15-10-17)18(16-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVZWRDWUBSFWOPH-UHFFFAOYSA-N
XLogP2.18
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-phenyl-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbaldehyde
CID 2387934
(4-Ethylpiperazin-1-yl)-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 16022058
1-(4-allyl-2-methyl-4H-pyrazolo[1,5-a]benzimidazol-3-yl)-3-(2-pyridinyl)-2-propen-1-one
CID 5344087
(3-Methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 16011907
1-[1-(4-Fluorophenyl)-3-methyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]-4-phenylpiperazine
CID 16022066
5-Methyl-1-pyridin-2-yl-1H-pyrazole-4-carbaldehyde
CID 21097352
3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde
CID 22054403
1-[1-(4-Fluorophenyl)-3-methyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]-2-methylpiperidine
CID 16022064
N-(1-methylpyrazol-3-yl)-3-phenylimidazole-4-carboxamide
CID 18152609
1-[1-(4-Fluorophenyl)-3-methyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]piperidine
CID 20915571
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 42961998
(3-Imidazol-1-ylpiperidin-1-yl)-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 53593041

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde (CID 11207482) is 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde is Cc1nn(-c2ccccc2)c(-n2ccnc2)c1C=O.
What is the InChIKey of 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is VZWRDWUBSFWOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-11-13(9-19)14(17-8-7-15-10-17)18(16-11)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde?
5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 252.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-3-methyl-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 11207482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).