2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde

C11H10N2O2 — CID 71671582

IUPAC2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde
SMILESCn1[nH]c(-c2ccccc2)c(C=O)c1=O
InChIInChI=1S/C11H10N2O2/c1-13-11(15)9(7-14)10(12-13)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeySPBULAJFESFHFO-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.19
Rot. Bonds2

About 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde

2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde (PubChem CID 71671582) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde
PubChem CID71671582
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde
SMILESCn1[nH]c(-c2ccccc2)c(C=O)c1=O
InChIInChI=1S/C11H10N2O2/c1-13-11(15)9(7-14)10(12-13)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeySPBULAJFESFHFO-UHFFFAOYSA-N
XLogP1.19
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-phenyl-1H-pyrazol-5-ol
CID 2113959
5-hydroxy-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 135472886
1-methyl-3-phenyl-1H-pyrazol-5-ol
CID 2763504
4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one
CID 10176462
1-benzyl-3-methyl-1H-pyrazol-5-ol
CID 2384263
1-benzyl-4-methyl-1H-pyrazol-3-ol
CID 3704386
3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-5-phenyl-
CID 10844967
3H-Pyrazol-3-one, 1,2-dihydro-2,4-dimethyl-5-phenyl-
CID 10899399
4-Methyl-5-phenyl-2,3-dihydro-1h-pyrazol-3-one
CID 11321248
1,4-Dimethyl-5-phenyl-1H-pyrazol-3-ol
CID 13014975
5-(4-Fluorophenyl)-1-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 21867277
2-benzyl-3-methyl-1H-pyrazol-5-one
CID 12199820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde (CID 71671582) is 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde is Cn1[nH]c(-c2ccccc2)c(C=O)c1=O.
What is the InChIKey of 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is SPBULAJFESFHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13-11(15)9(7-14)10(12-13)8-5-3-2-4-6-8/h2-7,12H,1H3.
What are the key properties of 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde?
2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 71671582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).