2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide

C18H25N3O — CID 75520723

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide
SMILESCc1n[nH]c(C)c1C(C)C(=O)N(C)CC(C)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-12(16-9-7-6-8-10-16)11-21(5)18(22)13(2)17-14(3)19-20-15(17)4/h6-10,12-13H,11H2,1-5H3,(H,19,20)
InChIKeyIJYPSHZDBIAWHY-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.39
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide (PubChem CID 75520723) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide
PubChem CID75520723
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide
SMILESCc1n[nH]c(C)c1C(C)C(=O)N(C)CC(C)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-12(16-9-7-6-8-10-16)11-21(5)18(22)13(2)17-14(3)19-20-15(17)4/h6-10,12-13H,11H2,1-5H3,(H,19,20)
InChIKeyIJYPSHZDBIAWHY-UHFFFAOYSA-N
XLogP3.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 7694329
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
CID 23645917
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654661
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654663
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654747
N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654751
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 23654752
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 23654832
1-(3-(4-Fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one
CID 57076369
1-(3-Phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 7694334
N-benzyl-N-ethyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 16022660

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide (CID 75520723) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide is Cc1n[nH]c(C)c1C(C)C(=O)N(C)CC(C)c1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide?
The InChIKey is IJYPSHZDBIAWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(16-9-7-6-8-10-16)11-21(5)18(22)13(2)17-14(3)19-20-15(17)4/h6-10,12-13H,11H2,1-5H3,(H,19,20).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide has a molecular weight of 299.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 75520723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).