1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine

C13H23N3O — CID 75483545

IUPAC1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
SMILESCC(C)CCn1ccc(NC2CCOC2C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)4-7-16-8-5-13(15-16)14-12-6-9-17-11(12)3/h5,8,10-12H,4,6-7,9H2,1-3H3,(H,14,15)
InChIKeyUAOVYWCJAKFTIN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.52
Rot. Bonds5

About 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine

1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine (PubChem CID 75483545) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
PubChem CID75483545
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
SMILESCC(C)CCn1ccc(NC2CCOC2C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)4-7-16-8-5-13(15-16)14-12-6-9-17-11(12)3/h5,8,10-12H,4,6-7,9H2,1-3H3,(H,14,15)
InChIKeyUAOVYWCJAKFTIN-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine?
The IUPAC name of 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine (CID 75483545) is 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine?
The canonical SMILES for 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine is CC(C)CCn1ccc(NC2CCOC2C)n1.
What is the InChIKey of 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine?
The InChIKey is UAOVYWCJAKFTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)4-7-16-8-5-13(15-16)14-12-6-9-17-11(12)3/h5,8,10-12H,4,6-7,9H2,1-3H3,(H,14,15).
What are the key properties of 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine?
1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine has a molecular weight of 237.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine is sourced from PubChem (CID 75483545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).