methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate

C15H17N3O3 — CID 110681771

IUPACmethyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
SMILESCCn1nc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1C
InChIInChI=1S/C15H17N3O3/c1-4-18-10(2)9-13(17-18)14(19)16-12-7-5-11(6-8-12)15(20)21-3/h5-9H,4H2,1-3H3,(H,16,19)
InChIKeyIBHAWDQELSHUTG-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.25
Rot. Bonds4

About methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate

methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 110681771) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
PubChem CID110681771
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
SMILESCCn1nc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1C
InChIInChI=1S/C15H17N3O3/c1-4-18-10(2)9-13(17-18)14(19)16-12-7-5-11(6-8-12)15(20)21-3/h5-9H,4H2,1-3H3,(H,16,19)
InChIKeyIBHAWDQELSHUTG-UHFFFAOYSA-N
XLogP2.25
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide
CID 90975733
1-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 58497357
N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 73213311
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 55755392
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332
methyl 4-[[6-methyl-2-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320941
2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 120522620
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
CID 23605079

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate (CID 110681771) is methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate is CCn1nc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1C.
What is the InChIKey of methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is IBHAWDQELSHUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-18-10(2)9-13(17-18)14(19)16-12-7-5-11(6-8-12)15(20)21-3/h5-9H,4H2,1-3H3,(H,16,19).
What are the key properties of methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate?
methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110681771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).