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

C19H28N4O — CID 119304756

IUPAC2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C19H28N4O/c1-6-9-17(20)19(24)22(5)12-16-14(3)21-23(15(16)4)18-11-8-7-10-13(18)2/h7-8,10-11,17H,6,9,12,20H2,1-5H3
InChIKeyKTWXSNHNAAQXGZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.88
Rot. Bonds6

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

2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide (PubChem CID 119304756) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide
PubChem CID119304756
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C19H28N4O/c1-6-9-17(20)19(24)22(5)12-16-14(3)21-23(15(16)4)18-11-8-7-10-13(18)2/h7-8,10-11,17H,6,9,12,20H2,1-5H3
InChIKeyKTWXSNHNAAQXGZ-UHFFFAOYSA-N
XLogP2.88
TPSA64.15 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide
CID 119304754
(2S)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide
CID 119304736
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119751313
3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol
CID 110903453
2-(3,4-dichlorophenyl)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 60574619
9-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120987258
3-(3-but-3-ynyldiazirin-3-yl)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide
CID 166417713
9-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987257
(2R)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 94616250
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 61271139
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119751324
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide?
The IUPAC name of 2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide (CID 119304756) is 2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide?
The canonical SMILES for 2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide is CCCC(N)C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C.
What is the InChIKey of 2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide?
The InChIKey is KTWXSNHNAAQXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-6-9-17(20)19(24)22(5)12-16-14(3)21-23(15(16)4)18-11-8-7-10-13(18)2/h7-8,10-11,17H,6,9,12,20H2,1-5H3.
What are the key properties of 2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide?
2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide has a molecular weight of 328.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpentanamide is sourced from PubChem (CID 119304756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).