1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine

C11H19N3O2 — CID 103544205

IUPAC1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCn1cc(CCC(N)CC2OCCO2)cn1
InChIInChI=1S/C11H19N3O2/c1-14-8-9(7-13-14)2-3-10(12)6-11-15-4-5-16-11/h7-8,10-11H,2-6,12H2,1H3
InChIKeyQTFHSCSXPJNIJD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.44
Rot. Bonds5

About 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine

1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 103544205) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID103544205
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCn1cc(CCC(N)CC2OCCO2)cn1
InChIInChI=1S/C11H19N3O2/c1-14-8-9(7-13-14)2-3-10(12)6-11-15-4-5-16-11/h7-8,10-11H,2-6,12H2,1H3
InChIKeyQTFHSCSXPJNIJD-UHFFFAOYSA-N
XLogP0.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol
CID 103008015
5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103029608
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029830
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011693
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine (CID 103544205) is 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine is Cn1cc(CCC(N)CC2OCCO2)cn1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is QTFHSCSXPJNIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14-8-9(7-13-14)2-3-10(12)6-11-15-4-5-16-11/h7-8,10-11H,2-6,12H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine?
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103544205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).