2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine

C9H15N3 — CID 103392262

IUPAC2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine
SMILESCC(=CCc1cnn(C)c1)CN
InChIInChI=1S/C9H15N3/c1-8(5-10)3-4-9-6-11-12(2)7-9/h3,6-7H,4-5,10H2,1-2H3
InChIKeyBOHLQAWRINPLNM-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.87
Rot. Bonds3

About 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine

2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine (PubChem CID 103392262) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine
PubChem CID103392262
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine
SMILESCC(=CCc1cnn(C)c1)CN
InChIInChI=1S/C9H15N3/c1-8(5-10)3-4-9-6-11-12(2)7-9/h3,6-7H,4-5,10H2,1-2H3
InChIKeyBOHLQAWRINPLNM-UHFFFAOYSA-N
XLogP0.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 79329731
(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine
CID 67952565
3-[2-methyl-4-(1-methylpyrazol-4-yl)but-2-enyl]morpholine
CID 103019540
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
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CID 17028076
(Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine
CID 171524708
ethane;4-ethyl-1-methylpyrazole
CID 143829284
4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine
CID 103019514
O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
CID 79423032
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine?
The IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine (CID 103392262) is 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine.
What is the SMILES notation for 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine?
The canonical SMILES for 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine is CC(=CCc1cnn(C)c1)CN.
What is the InChIKey of 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine?
The InChIKey is BOHLQAWRINPLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8(5-10)3-4-9-6-11-12(2)7-9/h3,6-7H,4-5,10H2,1-2H3.
What are the key properties of 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine?
2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine has a molecular weight of 165.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine is sourced from PubChem (CID 103392262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).