N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide

C11H20N4O — CID 119384846

IUPACN-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NCCN
InChIInChI=1S/C11H20N4O/c1-11(2,3)9-7-8(15(4)14-9)10(16)13-6-5-12/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyKGSOGFHFOVSHIV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.41
Rot. Bonds3

About N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide

N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide (PubChem CID 119384846) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
PubChem CID119384846
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NCCN
InChIInChI=1S/C11H20N4O/c1-11(2,3)9-7-8(15(4)14-9)10(16)13-6-5-12/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyKGSOGFHFOVSHIV-UHFFFAOYSA-N
XLogP0.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide 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

3-tert-butyl-N-(3-hydroxypropyl)-1-methylpyrazole-5-carboxamide
CID 78897064
3-tert-butyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 87012608
3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119249467
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
3-tert-butyl-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 87023626
3-tert-butyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrazole-5-carboxamide
CID 119393784
3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide
CID 166375628
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
3-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 110908840
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 78893819
N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 119656119

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide (CID 119384846) is N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The InChIKey is KGSOGFHFOVSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)9-7-8(15(4)14-9)10(16)13-6-5-12/h7H,5-6,12H2,1-4H3,(H,13,16).
What are the key properties of N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 119384846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).