2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide

C16H21N3O — CID 121020143

IUPAC2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H21N3O/c1-16(2,3)15(20)17-9-10-19-12-14(11-18-19)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)
InChIKeyDUXMKOFBLHCAMN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.71
Rot. Bonds4

About 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide (PubChem CID 121020143) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
PubChem CID121020143
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H21N3O/c1-16(2,3)15(20)17-9-10-19-12-14(11-18-19)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)
InChIKeyDUXMKOFBLHCAMN-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62771315
(2R)-2-methyl-2-methylsulfonyl-4-(4-phenylpyrazol-1-yl)butanoic acid
CID 70817707
2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate
CID 62770643
2,2-dimethyl-6-(4-phenylpyrazol-1-yl)hexanoic acid
CID 106714171
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 119102928
N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide
CID 118524294
2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
CID 62771007
4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
CID 121020141
5-(4-phenylpyrazol-1-yl)pentan-2-one
CID 55113154
N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 119102947
4-(4-phenylpyrazol-1-yl)-2-(propylamino)butanoic acid
CID 63040336

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide (CID 121020143) is 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is DUXMKOFBLHCAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)15(20)17-9-10-19-12-14(11-18-19)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 121020143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).