[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone

C26H19N5O2 — CID 139231548

IUPAC[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone
SMILESCc1c(C(=O)c2cc(C(=O)c3ccccc3)nn2-c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C26H19N5O2/c1-18-24(27-29-30(18)20-13-7-3-8-14-20)26(33)23-17-22(25(32)19-11-5-2-6-12-19)28-31(23)21-15-9-4-10-16-21/h2-17H,1H3
InChIKeyIVDXRTWTFPQABI-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.22
Rot. Bonds6

About [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone

[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone (PubChem CID 139231548) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone
PubChem CID139231548
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC Name[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone
SMILESCc1c(C(=O)c2cc(C(=O)c3ccccc3)nn2-c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C26H19N5O2/c1-18-24(27-29-30(18)20-13-7-3-8-14-20)26(33)23-17-22(25(32)19-11-5-2-6-12-19)28-31(23)21-15-9-4-10-16-21/h2-17H,1H3
InChIKeyIVDXRTWTFPQABI-UHFFFAOYSA-N
XLogP4.22
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
CID 139231534
[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1,2-oxazol-3-yl]-phenylmethanone
CID 139231528
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
(6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone
CID 633210
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
CID 139231542
4-(4-acetyl-5-methyltriazol-1-yl)benzoic acid
CID 82201518
5-methyl-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 82200952
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
5-methyl-1-phenyltriazol-4-ol
CID 15257136

Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone?
The IUPAC name of [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone (CID 139231548) is [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone.
What is the SMILES notation for [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone?
The canonical SMILES for [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone is Cc1c(C(=O)c2cc(C(=O)c3ccccc3)nn2-c2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone?
The InChIKey is IVDXRTWTFPQABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c1-18-24(27-29-30(18)20-13-7-3-8-14-20)26(33)23-17-22(25(32)19-11-5-2-6-12-19)28-31(23)21-15-9-4-10-16-21/h2-17H,1H3.
What are the key properties of [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone?
[5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone has a molecular weight of 433.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]-phenylmethanone is sourced from PubChem (CID 139231548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).