2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate

C20H19N3O3 — CID 2320463

IUPAC2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate
SMILESCc1cc(NC(=O)c2ccccc2)n(CCOC(=O)c2ccccc2)n1
InChIInChI=1S/C20H19N3O3/c1-15-14-18(21-19(24)16-8-4-2-5-9-16)23(22-15)12-13-26-20(25)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,21,24)
InChIKeyHAJNZXZWIVSGPQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.30
Rot. Bonds6

About 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate

2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate (PubChem CID 2320463) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate.

Molecular Properties

Compound Name2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate
PubChem CID2320463
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate
SMILESCc1cc(NC(=O)c2ccccc2)n(CCOC(=O)c2ccccc2)n1
InChIInChI=1S/C20H19N3O3/c1-15-14-18(21-19(24)16-8-4-2-5-9-16)23(22-15)12-13-26-20(25)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,21,24)
InChIKeyHAJNZXZWIVSGPQ-UHFFFAOYSA-N
XLogP3.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate
CID 16276659
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
1-[(4-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 154636989
5-[(4-Methylbenzoyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 154636998
Methyl 2-[[2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetyl]amino]benzoate
CID 16026209
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 4802531
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4802711
4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-ureido]-benzoic acid butyl ester
CID 9951380
Methyl 4-(3-{3,5-dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamido)benzoate
CID 16027056
Methyl 4-[(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)methyl]benzoate
CID 16027154
Methyl 4-[[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]methyl]benzoate
CID 16027185
2-(2-Hydroxyethylamino)benzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester
CID 16280630

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate?
The IUPAC name of 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate (CID 2320463) is 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate.
What is the SMILES notation for 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate?
The canonical SMILES for 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate is Cc1cc(NC(=O)c2ccccc2)n(CCOC(=O)c2ccccc2)n1.
What is the InChIKey of 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate?
The InChIKey is HAJNZXZWIVSGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-15-14-18(21-19(24)16-8-4-2-5-9-16)23(22-15)12-13-26-20(25)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,21,24).
What are the key properties of 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate?
2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate has a molecular weight of 349.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzamido-3-methylpyrazol-1-yl)ethyl benzoate is sourced from PubChem (CID 2320463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).