N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide

C11H20N4O — CID 115749008

IUPACN,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide
SMILESCNC(=O)C(C)(C)CNCc1ccnn1C
InChIInChI=1S/C11H20N4O/c1-11(2,10(16)12-3)8-13-7-9-5-6-14-15(9)4/h5-6,13H,7-8H2,1-4H3,(H,12,16)
InChIKeyLNWWSTVCFIQTEE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.28
Rot. Bonds5

About N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide

N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide (PubChem CID 115749008) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide
PubChem CID115749008
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide
SMILESCNC(=O)C(C)(C)CNCc1ccnn1C
InChIInChI=1S/C11H20N4O/c1-11(2,10(16)12-3)8-13-7-9-5-6-14-15(9)4/h5-6,13H,7-8H2,1-4H3,(H,12,16)
InChIKeyLNWWSTVCFIQTEE-UHFFFAOYSA-N
XLogP0.28
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide
CID 114167185
3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958443
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide
CID 114167139
3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 64678263
2-ethyl-4-[(2-methylpyrazol-3-yl)methylamino]but-2-enoic acid
CID 103252118
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277093

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide (CID 115749008) is N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide is CNC(=O)C(C)(C)CNCc1ccnn1C.
What is the InChIKey of N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide?
The InChIKey is LNWWSTVCFIQTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,10(16)12-3)8-13-7-9-5-6-14-15(9)4/h5-6,13H,7-8H2,1-4H3,(H,12,16).
What are the key properties of N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide?
N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide is sourced from PubChem (CID 115749008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).