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

C18H25N3O — CID 71867002

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide
SMILESCc1n[nH]c(C)c1CC(C)C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C18H25N3O/c1-13(12-17-14(2)19-20-15(17)3)18(22)21(4)11-10-16-8-6-5-7-9-16/h5-9,13H,10-12H2,1-4H3,(H,19,20)
InChIKeyMZQSUESFOWDNDW-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.91
Rot. Bonds6

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide (PubChem CID 71867002) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide
PubChem CID71867002
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide
SMILESCc1n[nH]c(C)c1CC(C)C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C18H25N3O/c1-13(12-17-14(2)19-20-15(17)3)18(22)21(4)11-10-16-8-6-5-7-9-16/h5-9,13H,10-12H2,1-4H3,(H,19,20)
InChIKeyMZQSUESFOWDNDW-UHFFFAOYSA-N
XLogP2.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide (CID 71867002) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide is Cc1n[nH]c(C)c1CC(C)C(=O)N(C)CCc1ccccc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide?
The InChIKey is MZQSUESFOWDNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13(12-17-14(2)19-20-15(17)3)18(22)21(4)11-10-16-8-6-5-7-9-16/h5-9,13H,10-12H2,1-4H3,(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide has a molecular weight of 299.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 71867002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).