2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate

C20H17Cl2N3O3 — CID 2316223

IUPAC2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(CCOC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17Cl2N3O3/c1-13-12-18(23-19(26)14-2-6-16(21)7-3-14)25(24-13)10-11-28-20(27)15-4-8-17(22)9-5-15/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeySYUOKICOGMLPFJ-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.61
Rot. Bonds6

About 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate

2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate (PubChem CID 2316223) has the molecular formula C20H17Cl2N3O3 and a molecular weight of 418.28 g/mol. Its IUPAC name is 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate.

Molecular Properties

Compound Name2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate
PubChem CID2316223
Molecular FormulaC20H17Cl2N3O3
Molecular Weight418.28 g/mol
Exact Mass417.06
IUPAC Name2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(CCOC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17Cl2N3O3/c1-13-12-18(23-19(26)14-2-6-16(21)7-3-14)25(24-13)10-11-28-20(27)15-4-8-17(22)9-5-15/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeySYUOKICOGMLPFJ-UHFFFAOYSA-N
XLogP4.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-Chlorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168279045
1-[(2-Chlorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168285041
1-[(4-Chlorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168295924
methyl 4-chloro-2-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)amino]benzoate
CID 16024370
2-[5-[(4-Fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate
CID 2320426
methyl 4-({[1-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrazol-3-yl]amino}carbonyl)benzoate
CID 6458805
Ethyl 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylate
CID 154637010
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] benzoate
CID 4803443
(2,4-dichlorophenyl)methyl N-(2-cyclohexyl-5-methylpyrazol-3-yl)carbamate
CID 168277222
2-(5-Benzamido-3-methylpyrazol-1-yl)ethyl benzoate
CID 2320463
methyl 4-((3-methyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl)benzoate
CID 44051569
4-chloro-N-[5-cyclopropyl-2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzamide
CID 71588504

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate?
The IUPAC name of 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate (CID 2316223) is 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate.
What is the SMILES notation for 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate?
The canonical SMILES for 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate is Cc1cc(NC(=O)c2ccc(Cl)cc2)n(CCOC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate?
The InChIKey is SYUOKICOGMLPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3/c1-13-12-18(23-19(26)14-2-6-16(21)7-3-14)25(24-13)10-11-28-20(27)15-4-8-17(22)9-5-15/h2-9,12H,10-11H2,1H3,(H,23,26).
What are the key properties of 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate?
2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate has a molecular weight of 418.28 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate is sourced from PubChem (CID 2316223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).