2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide

C13H24N4O — CID 119731668

IUPAC2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
SMILESCNCC(C)C(=O)NCCc1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O/c1-9(8-14-4)13(18)15-7-6-12-10(2)16-17(5)11(12)3/h9,14H,6-8H2,1-5H3,(H,15,18)
InChIKeyARZQITZCGTXFQP-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.55
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide

2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 119731668) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
PubChem CID119731668
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
SMILESCNCC(C)C(=O)NCCc1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O/c1-9(8-14-4)13(18)15-7-6-12-10(2)16-17(5)11(12)3/h9,14H,6-8H2,1-5H3,(H,15,18)
InChIKeyARZQITZCGTXFQP-UHFFFAOYSA-N
XLogP0.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 78872000
1-(3-hydroxybutyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111337217
1-(3-hydroxy-4-methylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111504916
4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
CID 119731648
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (CID 119731668) is 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is CNCC(C)C(=O)NCCc1c(C)nn(C)c1C.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is ARZQITZCGTXFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(8-14-4)13(18)15-7-6-12-10(2)16-17(5)11(12)3/h9,14H,6-8H2,1-5H3,(H,15,18).
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 252.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 119731668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).