1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine

C13H23N3O — CID 116523916

IUPAC1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(CC2CCC(C)(C)O2)c1
InChIInChI=1S/C13H23N3O/c1-10(14)6-11-7-15-16(8-11)9-12-4-5-13(2,3)17-12/h7-8,10,12H,4-6,9,14H2,1-3H3
InChIKeyKYQKGFKPCFFVNF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.73
Rot. Bonds4

About 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine

1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine (PubChem CID 116523916) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine
PubChem CID116523916
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(CC2CCC(C)(C)O2)c1
InChIInChI=1S/C13H23N3O/c1-10(14)6-11-7-15-16(8-11)9-12-4-5-13(2,3)17-12/h7-8,10,12H,4-6,9,14H2,1-3H3
InChIKeyKYQKGFKPCFFVNF-UHFFFAOYSA-N
XLogP1.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine (CID 116523916) is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine is CC(N)Cc1cnn(CC2CCC(C)(C)O2)c1.
What is the InChIKey of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine?
The InChIKey is KYQKGFKPCFFVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(14)6-11-7-15-16(8-11)9-12-4-5-13(2,3)17-12/h7-8,10,12H,4-6,9,14H2,1-3H3.
What are the key properties of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine?
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 116523916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).