N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide

C16H19N3O — CID 51097192

IUPACN-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1cc(-c2ccccc2)cn1)C1CC1
InChIInChI=1S/C16H19N3O/c1-12(13-7-8-13)18-16(20)11-19-10-15(9-17-19)14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,18,20)
InChIKeyAFUJUCNYAKDNDU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.46
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide

N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide (PubChem CID 51097192) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide
PubChem CID51097192
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1cc(-c2ccccc2)cn1)C1CC1
InChIInChI=1S/C16H19N3O/c1-12(13-7-8-13)18-16(20)11-19-10-15(9-17-19)14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,18,20)
InChIKeyAFUJUCNYAKDNDU-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide (CID 51097192) is N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide is CC(NC(=O)Cn1cc(-c2ccccc2)cn1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide?
The InChIKey is AFUJUCNYAKDNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(13-7-8-13)18-16(20)11-19-10-15(9-17-19)14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide?
N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide is sourced from PubChem (CID 51097192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).