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

C21H17N5O2 — CID 139231540

IUPAC1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nnn(-c2ccccc2)c1C
InChIInChI=1S/C21H17N5O2/c1-14-19(22-24-26(14)17-11-7-4-8-12-17)21(28)18-13-25(23-20(18)15(2)27)16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKeyPZBVLAZYTDHJDS-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.20
Rot. Bonds5

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

1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone (PubChem CID 139231540) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone
PubChem CID139231540
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nnn(-c2ccccc2)c1C
InChIInChI=1S/C21H17N5O2/c1-14-19(22-24-26(14)17-11-7-4-8-12-17)21(28)18-13-25(23-20(18)15(2)27)16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKeyPZBVLAZYTDHJDS-UHFFFAOYSA-N
XLogP3.20
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389971
1-phenyl-N-[2-[(4-pyrazol-1-ylbenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 46885187
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
(4-Aminophenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681682
12-Methyl-4,5,8,11,12,15,23,27-octazapentacyclo[21.3.1.12,5.117,21.010,14]nonacosa-1(27),2(29),3,10,13,17,19,21(28),25-nonaene-9,16,24-trione
CID 122470005
US10183947, Example 4
CID 122678088
US10183947, Example 3
CID 122678138
US10183947, Example 19
CID 122678183
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415082
1-[4-(4-methylbenzoyl)-1-phenyl-1H-pyrazol-3-yl]ethanone
CID 1214550
(1,3-Diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 8107007
3-[3-(4-Cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)pyrazole-4-carbonyl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50905594

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone (CID 139231540) is 1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone is CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nnn(-c2ccccc2)c1C.
What is the InChIKey of 1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
The InChIKey is PZBVLAZYTDHJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14-19(22-24-26(14)17-11-7-4-8-12-17)21(28)18-13-25(23-20(18)15(2)27)16-9-5-3-6-10-16/h3-13H,1-2H3.
What are the key properties of 1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone has a molecular weight of 371.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1-phenyltriazole-4-carbonyl)-1-phenylpyrazol-3-yl]ethanone is sourced from PubChem (CID 139231540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).