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

C14H14ClN3O3 — CID 973643

IUPACethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C14H14ClN3O3/c1-3-21-14(20)9-4-6-10(7-5-9)17-13(19)12-11(15)8-16-18(12)2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyXAEGWAPLEWJDJV-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.50
Rot. Bonds4

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

ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate (PubChem CID 973643) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
PubChem CID973643
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Nameethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C14H14ClN3O3/c1-3-21-14(20)9-4-6-10(7-5-9)17-13(19)12-11(15)8-16-18(12)2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyXAEGWAPLEWJDJV-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 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 6467478
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
CID 131940972
methyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)carbamothioylamino]benzoate
CID 1105438
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19475829
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 50981583
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate (CID 973643) is ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2c(Cl)cnn2C)cc1.
What is the InChIKey of ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate?
The InChIKey is XAEGWAPLEWJDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-3-21-14(20)9-4-6-10(7-5-9)17-13(19)12-11(15)8-16-18(12)2/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate?
ethyl 4-[(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 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 973643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).