(1-ethylpyrazol-4-yl)methanamine

C6H11N3 — CID 580103

IUPAC(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(CN)cn1
InChIInChI=1S/C6H11N3/c1-2-9-5-6(3-7)4-8-9/h4-5H,2-3,7H2,1H3
InChIKeyMIAQYVFWXDEYAK-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.36
Rot. Bonds2

About (1-ethylpyrazol-4-yl)methanamine

(1-ethylpyrazol-4-yl)methanamine (PubChem CID 580103) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)methanamine
PubChem CID580103
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(CN)cn1
InChIInChI=1S/C6H11N3/c1-2-9-5-6(3-7)4-8-9/h4-5H,2-3,7H2,1H3
InChIKeyMIAQYVFWXDEYAK-UHFFFAOYSA-N
XLogP0.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-ethylpyrazol-4-yl)methanamine 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

1-((1-Methyl-1H-pyrazol-4-yl)methyl)piperazine
CID 7022272
1,4-Dimethylpyrazole
CID 136836
1-Ethylpyrazole
CID 498446
1-Methyl-4-iodo-1H-pyrazole
CID 2734773
4-Bromo-1-ethyl-1H-pyrazole
CID 12565201
1-Propyl-1H-pyrazole
CID 12711096
4-Ethynyl-1-methyl-1H-pyrazole
CID 51138321
3-(4-methyl-1H-pyrazol-1-yl)piperidine
CID 54592641
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
1-Ethylpyrazole-4-boronic acid
CID 11446376
1-methyl-1H-pyrazole-4-carbonitrile
CID 12747521
3-bromo-1,4-dimethyl-1H-pyrazole
CID 21766261

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)methanamine?
The IUPAC name of (1-ethylpyrazol-4-yl)methanamine (CID 580103) is (1-ethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-ethylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-ethylpyrazol-4-yl)methanamine is CCn1cc(CN)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)methanamine?
The InChIKey is MIAQYVFWXDEYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-9-5-6(3-7)4-8-9/h4-5H,2-3,7H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)methanamine?
(1-ethylpyrazol-4-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 580103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).