(2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate

C18H15N3O3 — CID 75500873

IUPAC(2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate
SMILESNC(=O)c1ccccc1COC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c19-17(22)14-9-5-4-8-13(14)11-24-18(23)15-10-20-21-16(15)12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,22)(H,20,21)
InChIKeyFNNGKAYGFKMNEU-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.53
Rot. Bonds5

About (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate

(2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate (PubChem CID 75500873) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name(2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate
PubChem CID75500873
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate
SMILESNC(=O)c1ccccc1COC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c19-17(22)14-9-5-4-8-13(14)11-24-18(23)15-10-20-21-16(15)12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,22)(H,20,21)
InChIKeyFNNGKAYGFKMNEU-UHFFFAOYSA-N
XLogP2.53
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1H-pyrazole-4-carboxylic acid
CID 4138562
ethyl 4-phenyl-1H-pyrazole-3-carboxylate
CID 244544
ethyl 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate
CID 15499027
1H-Pyrazole-3-carboxylic acid, 4-(4-fluorophenyl)-, ethyl ester
CID 19768734
methyl 5-[(3-aminophenyl)methyl]-1H-pyrazole-4-carboxylate
CID 154869738
ethyl 4-(4-fluoro-1H-pyrazol-5-yl)benzoate
CID 135080391
1H-Pyrazole-4-carboxylic acid, 3-phenyl-, ethyl ester
CID 271436
Methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 15584543
Methyl 4-phenyl-1H-pyrazole-3-carboxylate
CID 15584544
ethyl 4-benzyl-1H-pyrazole-3-carboxylate
CID 66853184
2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate
CID 86794909
Ethyl 4-(3-fluorophenyl)-3-pyrazolecarboxylate
CID 19768500

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate?
The IUPAC name of (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate (CID 75500873) is (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate is NC(=O)c1ccccc1COC(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate?
The InChIKey is FNNGKAYGFKMNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c19-17(22)14-9-5-4-8-13(14)11-24-18(23)15-10-20-21-16(15)12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,22)(H,20,21).
What are the key properties of (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate?
(2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 75500873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).