N-(1-benzylpyrazol-3-yl)-2-phenylacetamide

C18H17N3O — CID 6458316

IUPACN-(1-benzylpyrazol-3-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C18H17N3O/c22-18(13-15-7-3-1-4-8-15)19-17-11-12-21(20-17)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,20,22)
InChIKeyPZNFZIIUVMUDFG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.11
Rot. Bonds5

About N-(1-benzylpyrazol-3-yl)-2-phenylacetamide

N-(1-benzylpyrazol-3-yl)-2-phenylacetamide (PubChem CID 6458316) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-phenylacetamide
PubChem CID6458316
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C18H17N3O/c22-18(13-15-7-3-1-4-8-15)19-17-11-12-21(20-17)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,20,22)
InChIKeyPZNFZIIUVMUDFG-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-phenylacetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-phenylacetamide (CID 6458316) is N-(1-benzylpyrazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-phenylacetamide?
The InChIKey is PZNFZIIUVMUDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(13-15-7-3-1-4-8-15)19-17-11-12-21(20-17)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,20,22).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-phenylacetamide?
N-(1-benzylpyrazol-3-yl)-2-phenylacetamide has a molecular weight of 291.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 6458316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).