ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate

C22H23N3O3 — CID 175125228

IUPACethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)n(Cc2ccc(C)cc2)n1
InChIInChI=1S/C22H23N3O3/c1-4-28-22(27)19-13-20(23-21(26)18-11-7-16(3)8-12-18)25(24-19)14-17-9-5-15(2)6-10-17/h5-13H,4,14H2,1-3H3,(H,23,26)
InChIKeyIVAKAMSRMILVRJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.98
Rot. Bonds6

About ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate

ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate (PubChem CID 175125228) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
PubChem CID175125228
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nameethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)n(Cc2ccc(C)cc2)n1
InChIInChI=1S/C22H23N3O3/c1-4-28-22(27)19-13-20(23-21(26)18-11-7-16(3)8-12-18)25(24-19)14-17-9-5-15(2)6-10-17/h5-13H,4,14H2,1-3H3,(H,23,26)
InChIKeyIVAKAMSRMILVRJ-UHFFFAOYSA-N
XLogP3.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 154636989
ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
ethyl 5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872783
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
5-[(4-methylbenzoyl)amino]-1-[[4-[3-(oxan-4-yl)propanoyl]phenyl]methyl]pyrazole-3-carboxylic acid
CID 172811869
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
ethyl 3-tert-butyl-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylate
CID 162420898
ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate
CID 91872726
ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
CID 91872759
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616
ethyl 1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 849724

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate (CID 175125228) is ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)n(Cc2ccc(C)cc2)n1.
What is the InChIKey of ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate?
The InChIKey is IVAKAMSRMILVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-28-22(27)19-13-20(23-21(26)18-11-7-16(3)8-12-18)25(24-19)14-17-9-5-15(2)6-10-17/h5-13H,4,14H2,1-3H3,(H,23,26).
What are the key properties of ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate?
ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 175125228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).