2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine

C11H21N3 — CID 61349630

IUPAC2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1cnn(C)c1
InChIInChI=1S/C11H21N3/c1-4-10(5-2)6-12-7-11-8-13-14(3)9-11/h8-10,12H,4-7H2,1-3H3
InChIKeyBRABWQXBUUFSAQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds6

About 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine

2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine (PubChem CID 61349630) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
PubChem CID61349630
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1cnn(C)c1
InChIInChI=1S/C11H21N3/c1-4-10(5-2)6-12-7-11-8-13-14(3)9-11/h8-10,12H,4-7H2,1-3H3
InChIKeyBRABWQXBUUFSAQ-UHFFFAOYSA-N
XLogP1.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine 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-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
CID 165487520
2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
CID 61350630
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pentan-1-ol
CID 103748663
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
CID 61349855
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
N-[(1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28600272
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine (CID 61349630) is 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine is CCC(CC)CNCc1cnn(C)c1.
What is the InChIKey of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is BRABWQXBUUFSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-10(5-2)6-12-7-11-8-13-14(3)9-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 61349630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).