ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate

C14H14ClN3O3 — CID 6467478

IUPACethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C14H14ClN3O3/c1-3-21-14(20)9-6-4-5-7-11(9)17-13(19)12-10(15)8-16-18(12)2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyNDXLVAJWGONPHT-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.50
Rot. Bonds4

About ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate

ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate (PubChem CID 6467478) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
PubChem CID6467478
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Nameethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C14H14ClN3O3/c1-3-21-14(20)9-6-4-5-7-11(9)17-13(19)12-10(15)8-16-18(12)2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyNDXLVAJWGONPHT-UHFFFAOYSA-N
XLogP2.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19475829
ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 973643
N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide
CID 6468411
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 5-[(2-iodobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761486
ethyl 1-[4-[(2-chlorophenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31910537
ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
CID 110693143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate (CID 6467478) is ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1c(Cl)cnn1C.
What is the InChIKey of ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate?
The InChIKey is NDXLVAJWGONPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-3-21-14(20)9-6-4-5-7-11(9)17-13(19)12-10(15)8-16-18(12)2/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate?
ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate has a molecular weight of 307.74 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 6467478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).