N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide

C19H28N4O — CID 119751313

IUPACN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C19H28N4O/c1-13-9-7-8-10-18(13)23-16(4)17(15(3)21-23)12-22(6)19(24)14(2)11-20-5/h7-10,14,20H,11-12H2,1-6H3
InChIKeyHYDZVFMOALYGBH-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.61
Rot. Bonds6

About N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide

N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide (PubChem CID 119751313) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide
PubChem CID119751313
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C19H28N4O/c1-13-9-7-8-10-18(13)23-16(4)17(15(3)21-23)12-22(6)19(24)14(2)11-20-5/h7-10,14,20H,11-12H2,1-6H3
InChIKeyHYDZVFMOALYGBH-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide?
The IUPAC name of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide (CID 119751313) is N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide?
The canonical SMILES for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide is CNCC(C)C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide?
The InChIKey is HYDZVFMOALYGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13-9-7-8-10-18(13)23-16(4)17(15(3)21-23)12-22(6)19(24)14(2)11-20-5/h7-10,14,20H,11-12H2,1-6H3.
What are the key properties of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide?
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide is sourced from PubChem (CID 119751313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).