[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate

C18H15N3O3 — CID 46428826

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate
SMILESO=C(Nc1ccccc1)c1ccc(COC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C18H15N3O3/c22-17(20-15-4-2-1-3-5-15)14-8-6-13(7-9-14)12-24-18(23)16-10-11-19-21-16/h1-11H,12H2,(H,19,21)(H,20,22)
InChIKeyYJZSCIKGMATBCS-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.02
Rot. Bonds5

About [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate

[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate (PubChem CID 46428826) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate
PubChem CID46428826
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate
SMILESO=C(Nc1ccccc1)c1ccc(COC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C18H15N3O3/c22-17(20-15-4-2-1-3-5-15)14-8-6-13(7-9-14)12-24-18(23)16-10-11-19-21-16/h1-11H,12H2,(H,19,21)(H,20,22)
InChIKeyYJZSCIKGMATBCS-UHFFFAOYSA-N
XLogP3.02
TPSA84.08 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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
[4-(phenylcarbamoyl)phenyl]methyl 6-chloropyridine-3-carboxylate
CID 8017399
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
[4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194920
[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
CID 7665240
[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 8634406
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
[4-(phenylcarbamoyl)phenyl]methyl (E)-but-2-enoate
CID 7981070
[4-(phenylcarbamoyl)phenyl]methyl 2-methyl-2-phenylpropanoate
CID 7984589
[4-(phenylcarbamoyl)phenyl]methyl nitrate
CID 56659561

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate (CID 46428826) is [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate is O=C(Nc1ccccc1)c1ccc(COC(=O)c2ccn[nH]2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate?
The InChIKey is YJZSCIKGMATBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17(20-15-4-2-1-3-5-15)14-8-6-13(7-9-14)12-24-18(23)16-10-11-19-21-16/h1-11H,12H2,(H,19,21)(H,20,22).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate?
[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate is sourced from PubChem (CID 46428826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).