benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone

C22H15N5O — CID 1409855

IUPACbenzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C22H15N5O/c28-22(27-20-14-8-7-13-19(20)23-25-27)18-15-26(17-11-5-2-6-12-17)24-21(18)16-9-3-1-4-10-16/h1-15H
InChIKeyCYQKPQNCLCVFKT-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.97
Rot. Bonds3

About benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone

benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone (PubChem CID 1409855) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone
PubChem CID1409855
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Namebenzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C22H15N5O/c28-22(27-20-14-8-7-13-19(20)23-25-27)18-15-26(17-11-5-2-6-12-17)24-21(18)16-9-3-1-4-10-16/h1-15H
InChIKeyCYQKPQNCLCVFKT-UHFFFAOYSA-N
XLogP3.97
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
CID 69067763
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
(1,3-diphenylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2475806
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
1-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-3-phenylpyrazole-4-carboxylic acid
CID 56714980
(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 2310421
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865
1-[4-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202210

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone?
The IUPAC name of benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone (CID 1409855) is benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone?
The canonical SMILES for benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone?
The InChIKey is CYQKPQNCLCVFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c28-22(27-20-14-8-7-13-19(20)23-25-27)18-15-26(17-11-5-2-6-12-17)24-21(18)16-9-3-1-4-10-16/h1-15H.
What are the key properties of benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone?
benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone has a molecular weight of 365.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone is sourced from PubChem (CID 1409855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).