2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide

C14H17N3O — CID 51097193

IUPAC2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c1-11(2)16-14(18)10-17-9-13(8-15-17)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18)
InChIKeyAJUISDYUJWHOHD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide

2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 51097193) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID51097193
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c1-11(2)16-14(18)10-17-9-13(8-15-17)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18)
InChIKeyAJUISDYUJWHOHD-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide (CID 51097193) is 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is AJUISDYUJWHOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(2)16-14(18)10-17-9-13(8-15-17)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide?
2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 243.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 51097193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).