2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide

C16H17N3O — CID 46418937

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H17N3O/c1-4-10-17-16(20)11-15-12(2)18-19(13(15)3)14-8-6-5-7-9-14/h1,5-9H,10-11H2,2-3H3,(H,17,20)
InChIKeyVYJADNXEKOBOQD-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.78
Rot. Bonds4

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide (PubChem CID 46418937) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
PubChem CID46418937
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H17N3O/c1-4-10-17-16(20)11-15-12(2)18-19(13(15)3)14-8-6-5-7-9-14/h1,5-9H,10-11H2,2-3H3,(H,17,20)
InChIKeyVYJADNXEKOBOQD-UHFFFAOYSA-N
XLogP1.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
N-[(4-cyanophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106481
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-prop-2-ynylpropanamide
CID 78842642
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143283
CID 89224809
CID 89224809
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55934209
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436282
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 34050863
(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide
CID 9470539
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9269421

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide (CID 46418937) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide?
The InChIKey is VYJADNXEKOBOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-10-17-16(20)11-15-12(2)18-19(13(15)3)14-8-6-5-7-9-14/h1,5-9H,10-11H2,2-3H3,(H,17,20).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide has a molecular weight of 267.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 46418937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).