N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide

C12H22N4O — CID 112689875

IUPACN-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
SMILESCn1ccc(CNCCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-12(2,3)14-11(17)5-7-13-9-10-6-8-16(4)15-10/h6,8,13H,5,7,9H2,1-4H3,(H,14,17)
InChIKeySIRPGXXSFYFSIE-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.81
Rot. Bonds5

About N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide

N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide (PubChem CID 112689875) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
PubChem CID112689875
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
SMILESCn1ccc(CNCCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-12(2,3)14-11(17)5-7-13-9-10-6-8-16(4)15-10/h6,8,13H,5,7,9H2,1-4H3,(H,14,17)
InChIKeySIRPGXXSFYFSIE-UHFFFAOYSA-N
XLogP0.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide
CID 82881591
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115625685
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 106844741
3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872132
N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
CID 112695091
2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid
CID 106104661
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide (CID 112689875) is N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide is Cn1ccc(CNCCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide?
The InChIKey is SIRPGXXSFYFSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)14-11(17)5-7-13-9-10-6-8-16(4)15-10/h6,8,13H,5,7,9H2,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide?
N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide is sourced from PubChem (CID 112689875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).