methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate

C15H17N3O3 — CID 69189191

IUPACmethyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate
SMILESCCNC(=O)c1cnn(Cc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C15H17N3O3/c1-3-16-14(19)13-8-17-18(10-13)9-11-4-6-12(7-5-11)15(20)21-2/h4-8,10H,3,9H2,1-2H3,(H,16,19)
InChIKeyWSXVMKNEIDJKBX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.47
Rot. Bonds5

About methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate

methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate (PubChem CID 69189191) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate
PubChem CID69189191
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate
SMILESCCNC(=O)c1cnn(Cc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C15H17N3O3/c1-3-16-14(19)13-8-17-18(10-13)9-11-4-6-12(7-5-11)15(20)21-2/h4-8,10H,3,9H2,1-2H3,(H,16,19)
InChIKeyWSXVMKNEIDJKBX-UHFFFAOYSA-N
XLogP1.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(4-bromophenyl)methyl]pyrazole-4-carboxylate
CID 154827636
methyl 4-[[4-(2-hydroxyethyl)pyrazol-1-yl]methyl]benzoate
CID 75512238
methyl 4-[[4-(cyanomethyl)pyrazol-1-yl]methyl]benzoate
CID 170886303
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
CID 156583770
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
methyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]benzoate
CID 122359980
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217
methyl 4-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]carbamothioylamino]benzoate
CID 5016743
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 119526509
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
1-benzylpyrazole-4-carbohydrazide
CID 83386286

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate (CID 69189191) is methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate is CCNC(=O)c1cnn(Cc2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate?
The InChIKey is WSXVMKNEIDJKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-16-14(19)13-8-17-18(10-13)9-11-4-6-12(7-5-11)15(20)21-2/h4-8,10H,3,9H2,1-2H3,(H,16,19).
What are the key properties of methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate?
methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate has a molecular weight of 287.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate is sourced from PubChem (CID 69189191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).