methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate

C23H25N3O5 — CID 2811265

IUPACmethyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
SMILESCCCc1c(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cnn1-c1ccccc1
InChIInChI=1S/C23H25N3O5/c1-5-9-19-17(14-24-26(19)15-10-7-6-8-11-15)22(27)25-18-13-21(30-3)20(29-2)12-16(18)23(28)31-4/h6-8,10-14H,5,9H2,1-4H3,(H,25,27)
InChIKeyJSAKVXFAIAWFEH-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.88
Rot. Bonds8

About methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate

methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 2811265) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
PubChem CID2811265
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Namemethyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
SMILESCCCc1c(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cnn1-c1ccccc1
InChIInChI=1S/C23H25N3O5/c1-5-9-19-17(14-24-26(19)15-10-7-6-8-11-15)22(27)25-18-13-21(30-3)20(29-2)12-16(18)23(28)31-4/h6-8,10-14H,5,9H2,1-4H3,(H,25,27)
InChIKeyJSAKVXFAIAWFEH-UHFFFAOYSA-N
XLogP3.88
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-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

methyl 5-butyl-1-phenylpyrazole-4-carboxylate
CID 129024487
N-(1-methyl-3-phenylpyrazol-5-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 2815260
N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide
CID 91554312
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 2811414
N-(1H-indazol-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 59735133
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylpyrazole-4-carboxylate
CID 91654872
5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 73254440
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20866625
methyl 4,5-dimethoxy-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate
CID 26694596
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43980540
N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892594

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate (CID 2811265) is methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate is CCCc1c(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cnn1-c1ccccc1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is JSAKVXFAIAWFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-5-9-19-17(14-24-26(19)15-10-7-6-8-11-15)22(27)25-18-13-21(30-3)20(29-2)12-16(18)23(28)31-4/h6-8,10-14H,5,9H2,1-4H3,(H,25,27).
What are the key properties of methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 423.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 2811265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).