N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide

C18H21N3O — CID 166403316

IUPACN-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide
SMILESCC#CC(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C18H21N3O/c1-4-9-18(22)20(2)13-8-12-16-14-17(21(3)19-16)15-10-6-5-7-11-15/h5-7,10-11,14H,8,12-13H2,1-3H3
InChIKeyPIDOGRWYXPFPNU-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide

N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide (PubChem CID 166403316) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide
PubChem CID166403316
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide
SMILESCC#CC(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C18H21N3O/c1-4-9-18(22)20(2)13-8-12-16-14-17(21(3)19-16)15-10-6-5-7-11-15/h5-7,10-11,14H,8,12-13H2,1-3H3
InChIKeyPIDOGRWYXPFPNU-UHFFFAOYSA-N
XLogP2.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide 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

Ripazepam
CID 33474
Difenzoquat
CID 39425
1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
E-55888
CID 24825775
1-acetyl-3,5-diphenyl-1H-pyrazole
CID 828167
3-(3,5-Dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 24790949
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
3-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1224573
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
N-benzyl-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide
CID 649887
3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide
CID 3236386
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 3244387

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide?
The IUPAC name of N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide (CID 166403316) is N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide.
What is the SMILES notation for N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide?
The canonical SMILES for N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide is CC#CC(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide?
The InChIKey is PIDOGRWYXPFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-9-18(22)20(2)13-8-12-16-14-17(21(3)19-16)15-10-6-5-7-11-15/h5-7,10-11,14H,8,12-13H2,1-3H3.
What are the key properties of N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide?
N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide has a molecular weight of 295.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide is sourced from PubChem (CID 166403316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).