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

C18H17N3O2 — CID 6457563

IUPACN-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C18H17N3O2/c22-18(14-23-16-9-5-2-6-10-16)19-17-11-12-21(20-17)13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,19,20,22)
InChIKeyMFWVMQZJOGVKIK-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.95
Rot. Bonds6

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

N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide (PubChem CID 6457563) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide
PubChem CID6457563
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C18H17N3O2/c22-18(14-23-16-9-5-2-6-10-16)19-17-11-12-21(20-17)13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,19,20,22)
InChIKeyMFWVMQZJOGVKIK-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide (CID 6457563) is N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide?
The InChIKey is MFWVMQZJOGVKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(14-23-16-9-5-2-6-10-16)19-17-11-12-21(20-17)13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,19,20,22).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide?
N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide has a molecular weight of 307.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 6457563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).