2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide

C11H21N5O — CID 103078834

IUPAC2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1nn(C)cc1N
InChIInChI=1S/C11H21N5O/c1-8(2)5-13-10(17)7-15(3)11-9(12)6-16(4)14-11/h6,8H,5,7,12H2,1-4H3,(H,13,17)
InChIKeyOVMPEFWAEHXLAP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.21
Rot. Bonds5

About 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide

2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 103078834) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID103078834
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1nn(C)cc1N
InChIInChI=1S/C11H21N5O/c1-8(2)5-13-10(17)7-15(3)11-9(12)6-16(4)14-11/h6,8H,5,7,12H2,1-4H3,(H,13,17)
InChIKeyOVMPEFWAEHXLAP-UHFFFAOYSA-N
XLogP0.21
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-cyclopropylacetamide
CID 103078075
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
CID 103078693
2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide
CID 113408923
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide
CID 65354414
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103187585
5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide
CID 107196614
[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063495
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide (CID 103078834) is 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)c1nn(C)cc1N.
What is the InChIKey of 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is OVMPEFWAEHXLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8(2)5-13-10(17)7-15(3)11-9(12)6-16(4)14-11/h6,8H,5,7,12H2,1-4H3,(H,13,17).
What are the key properties of 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide?
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 103078834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).