N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide

C15H17N3O2 — CID 24844190

IUPACN-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1nn(C(C)=O)cc1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-4-17(11(2)19)15-14(10-18(16-15)12(3)20)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
InChIKeyZCHVVNQEAZILEJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.58
Rot. Bonds3

About N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide

N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide (PubChem CID 24844190) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide
PubChem CID24844190
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1nn(C(C)=O)cc1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-4-17(11(2)19)15-14(10-18(16-15)12(3)20)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
InChIKeyZCHVVNQEAZILEJ-UHFFFAOYSA-N
XLogP2.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide?
The IUPAC name of N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide (CID 24844190) is N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide?
The canonical SMILES for N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide is CCN(C(C)=O)c1nn(C(C)=O)cc1-c1ccccc1.
What is the InChIKey of N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide?
The InChIKey is ZCHVVNQEAZILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-17(11(2)19)15-14(10-18(16-15)12(3)20)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3.
What are the key properties of N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide?
N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide has a molecular weight of 271.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide is sourced from PubChem (CID 24844190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).