methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate

C22H23N3O3 — CID 118725458

IUPACmethyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
SMILESCCCc1c(C(=O)Nc2cc(C(=O)OC)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-4-8-20-18(14-23-25(20)17-9-6-5-7-10-17)21(26)24-19-13-16(22(27)28-3)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,24,26)
InChIKeyAFZHEBHUAJCFKJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.17
Rot. Bonds6

About methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate

methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 118725458) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
PubChem CID118725458
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namemethyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
SMILESCCCc1c(C(=O)Nc2cc(C(=O)OC)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-4-8-20-18(14-23-25(20)17-9-6-5-7-10-17)21(26)24-19-13-16(22(27)28-3)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,24,26)
InChIKeyAFZHEBHUAJCFKJ-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate (CID 118725458) is methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate is CCCc1c(C(=O)Nc2cc(C(=O)OC)ccc2C)cnn1-c1ccccc1.
What is the InChIKey of methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is AFZHEBHUAJCFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-8-20-18(14-23-25(20)17-9-6-5-7-10-17)21(26)24-19-13-16(22(27)28-3)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,24,26).
What are the key properties of methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate?
methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 377.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 118725458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).