2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide

C11H20N4O — CID 114290372

IUPAC2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide
SMILESCCn1cc(NC(=O)C(C)(CC)CN)cn1
InChIInChI=1S/C11H20N4O/c1-4-11(3,8-12)10(16)14-9-6-13-15(5-2)7-9/h6-7H,4-5,8,12H2,1-3H3,(H,14,16)
InChIKeyRRDUHJUBEPBFKE-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.22
Rot. Bonds5

About 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide

2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide (PubChem CID 114290372) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide
PubChem CID114290372
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide
SMILESCCn1cc(NC(=O)C(C)(CC)CN)cn1
InChIInChI=1S/C11H20N4O/c1-4-11(3,8-12)10(16)14-9-6-13-15(5-2)7-9/h6-7H,4-5,8,12H2,1-3H3,(H,14,16)
InChIKeyRRDUHJUBEPBFKE-UHFFFAOYSA-N
XLogP1.22
TPSA72.94 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide 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

2-(aminomethyl)-2-methyl-N-(1-methylpyrazol-4-yl)butanamide
CID 114290367
3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119728601
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548611
N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide
CID 114290300
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
(1-ethylpyrazol-4-yl)thiourea
CID 43543607
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide (CID 114290372) is 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide is CCn1cc(NC(=O)C(C)(CC)CN)cn1.
What is the InChIKey of 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide?
The InChIKey is RRDUHJUBEPBFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-11(3,8-12)10(16)14-9-6-13-15(5-2)7-9/h6-7H,4-5,8,12H2,1-3H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide?
2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide is sourced from PubChem (CID 114290372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).