methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate

C19H18N4O3 — CID 117076127

IUPACmethyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
SMILESCOC(=O)c1cccc(-n2cc(NC(=O)Nc3cccc(C)c3)cn2)c1
InChIInChI=1S/C19H18N4O3/c1-13-5-3-7-15(9-13)21-19(25)22-16-11-20-23(12-16)17-8-4-6-14(10-17)18(24)26-2/h3-12H,1-2H3,(H2,21,22,25)
InChIKeyMAOWCECHBTYFJQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.61
Rot. Bonds4

About methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate

methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate (PubChem CID 117076127) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
PubChem CID117076127
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Namemethyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
SMILESCOC(=O)c1cccc(-n2cc(NC(=O)Nc3cccc(C)c3)cn2)c1
InChIInChI=1S/C19H18N4O3/c1-13-5-3-7-15(9-13)21-19(25)22-16-11-20-23(12-16)17-8-4-6-14(10-17)18(24)26-2/h3-12H,1-2H3,(H2,21,22,25)
InChIKeyMAOWCECHBTYFJQ-UHFFFAOYSA-N
XLogP3.61
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076294
1-(3-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 18613364
N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
CID 87057580
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 70702009
methyl 2-[(3-methylphenyl)carbamoylamino]-1,3-benzothiazole-6-carboxylate
CID 121080649
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980795
N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 75895788
1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 139434229

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate?
The IUPAC name of methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate (CID 117076127) is methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate.
What is the SMILES notation for methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate?
The canonical SMILES for methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate is COC(=O)c1cccc(-n2cc(NC(=O)Nc3cccc(C)c3)cn2)c1.
What is the InChIKey of methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate?
The InChIKey is MAOWCECHBTYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-5-3-7-15(9-13)21-19(25)22-16-11-20-23(12-16)17-8-4-6-14(10-17)18(24)26-2/h3-12H,1-2H3,(H2,21,22,25).
What are the key properties of methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate?
methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate has a molecular weight of 350.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate is sourced from PubChem (CID 117076127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).