methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate

C15H14N4O3 — CID 95748376

IUPACmethyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H14N4O3/c1-9-12(13(15(21)22-3)18-19(9)2)17-14(20)11-6-4-10(8-16)5-7-11/h4-7H,1-3H3,(H,17,20)
InChIKeyMWSUFRRDNLVALD-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.64
Rot. Bonds3

About methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate

methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate (PubChem CID 95748376) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
PubChem CID95748376
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Namemethyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H14N4O3/c1-9-12(13(15(21)22-3)18-19(9)2)17-14(20)11-6-4-10(8-16)5-7-11/h4-7H,1-3H3,(H,17,20)
InChIKeyMWSUFRRDNLVALD-UHFFFAOYSA-N
XLogP1.64
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate 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

methyl 1,5-dimethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748149
4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35591222
methyl 1,5-dimethyl-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748248
methyl 4-[(2,4-difluorobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748401
4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 692973
methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 95748327
methyl 4-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748175
methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
CID 95748425
4-cyano-N-(2,6-diethylphenyl)benzamide
CID 2592061
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
methyl 1,3-dimethyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylate
CID 95749034
methyl 4-[(2-chloro-4,5-difluorobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748394

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate (CID 95748376) is methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is MWSUFRRDNLVALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-12(13(15(21)22-3)18-19(9)2)17-14(20)11-6-4-10(8-16)5-7-11/h4-7H,1-3H3,(H,17,20).
What are the key properties of methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate?
methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 95748376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).