dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate

C23H21N3O5 — CID 26737011

IUPACdimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C23H21N3O5/c1-30-22(28)15-10-16(23(29)31-2)12-17(11-15)24-21(27)20-13-19(14-8-9-14)25-26(20)18-6-4-3-5-7-18/h3-7,10-14H,8-9H2,1-2H3,(H,24,27)
InChIKeyQYCBXNIAPSSNOI-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.58
Rot. Bonds6

About dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 26737011) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID26737011
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Namedimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C23H21N3O5/c1-30-22(28)15-10-16(23(29)31-2)12-17(11-15)24-21(27)20-13-19(14-8-9-14)25-26(20)18-6-4-3-5-7-18/h3-7,10-14H,8-9H2,1-2H3,(H,24,27)
InChIKeyQYCBXNIAPSSNOI-UHFFFAOYSA-N
XLogP3.58
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
CID 46439782
dimethyl 5-[(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 16552895
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 9438240
methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate
CID 37416253
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045
N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 30843040
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate (CID 26737011) is dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is QYCBXNIAPSSNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-30-22(28)15-10-16(23(29)31-2)12-17(11-15)24-21(27)20-13-19(14-8-9-14)25-26(20)18-6-4-3-5-7-18/h3-7,10-14H,8-9H2,1-2H3,(H,24,27).
What are the key properties of dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 419.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 26737011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).