[3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine

C9H15N3O — CID 165464582

IUPAC[3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine
SMILESC=C(OCC)c1nn(C)cc1CN
InChIInChI=1S/C9H15N3O/c1-4-13-7(2)9-8(5-10)6-12(3)11-9/h6H,2,4-5,10H2,1,3H3
InChIKeyIFQRSYIDAXXOHS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.89
Rot. Bonds4

About [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine

[3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 165464582) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine
PubChem CID165464582
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine
SMILESC=C(OCC)c1nn(C)cc1CN
InChIInChI=1S/C9H15N3O/c1-4-13-7(2)9-8(5-10)6-12(3)11-9/h6H,2,4-5,10H2,1,3H3
InChIKeyIFQRSYIDAXXOHS-UHFFFAOYSA-N
XLogP0.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485433
[1-methyl-3-(5-methylthiophen-2-yl)pyrazol-4-yl]methanamine
CID 79485670
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
CID 104592680
ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
CID 123601486
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485518
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
ethyl 4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 19279135
ethyl 4-(4-iodo-1-methylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 19279180
4-(ethylaminomethyl)-1-methylpyrazol-3-amine
CID 165438711
[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine
CID 79485117

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine (CID 165464582) is [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine is C=C(OCC)c1nn(C)cc1CN.
What is the InChIKey of [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is IFQRSYIDAXXOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-13-7(2)9-8(5-10)6-12(3)11-9/h6H,2,4-5,10H2,1,3H3.
What are the key properties of [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine?
[3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethoxyethenyl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 165464582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).