4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one

C15H17N5O — CID 54217686

IUPAC4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(C)cc2)C(=O)C1n1nc(C)c(C)n1
InChIInChI=1S/C15H17N5O/c1-9-5-7-13(8-6-9)19-15(21)14(12(4)16-19)20-17-10(2)11(3)18-20/h5-8,14H,1-4H3
InChIKeyQAIUVXPYYSRUDR-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.17
Rot. Bonds2

About 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one

4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one (PubChem CID 54217686) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
PubChem CID54217686
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(C)cc2)C(=O)C1n1nc(C)c(C)n1
InChIInChI=1S/C15H17N5O/c1-9-5-7-13(8-6-9)19-15(21)14(12(4)16-19)20-17-10(2)11(3)18-20/h5-8,14H,1-4H3
InChIKeyQAIUVXPYYSRUDR-UHFFFAOYSA-N
XLogP2.17
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-5-methyl-4-[[(4R)-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-phenylmethyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 98152479
5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
CID 11852694
5-methyl-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-(3-methylphenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 139839318
4-iodo-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 43835372
(4S)-2-(4-chlorophenyl)-4-ethyl-5-methyl-4H-pyrazol-3-one
CID 1202306
4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one
CID 116817681
2-(4-methylphenyl)-3a,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83863836
4-[(4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]methyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
CID 125126956
(4S)-5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one
CID 7201535
(4R)-4-[bis[4-(dimethylamino)phenyl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 51563584
(4S)-5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one
CID 27234990
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one;hydrate
CID 19354458

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one?
The IUPAC name of 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one (CID 54217686) is 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one is CC1=NN(c2ccc(C)cc2)C(=O)C1n1nc(C)c(C)n1.
What is the InChIKey of 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one?
The InChIKey is QAIUVXPYYSRUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-5-7-13(8-6-9)19-15(21)14(12(4)16-19)20-17-10(2)11(3)18-20/h5-8,14H,1-4H3.
What are the key properties of 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one?
4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one has a molecular weight of 283.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyltriazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 54217686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).