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

Name: Methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₈N₄O₃ — CID 117076127

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
PubChem CID	117076127
Molecular Formula	C₁₉H₁₈N₄O₃
Molecular Weight	350.38 g/mol
Exact Mass	350.14
IUPAC Name	methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
SMILES	COC(=O)c1cccc(-n2cc(NC(=O)Nc3cccc(C)c3)cn2)c1
InChI	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)
InChIKey	MAOWCECHBTYFJQ-UHFFFAOYSA-N
XLogP	3.61
TPSA	85.25 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.38
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 117076127 — identifiers, structure, computed properties (public domain)

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