1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine

C11H19N3O — CID 62731505

IUPAC1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(CC2CCOC2)c1
InChIInChI=1S/C11H19N3O/c1-9(12)4-11-5-13-14(7-11)6-10-2-3-15-8-10/h5,7,9-10H,2-4,6,8,12H2,1H3
InChIKeyMBDIXULAQJWCSG-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.81
Rot. Bonds4

About 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine

1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine (PubChem CID 62731505) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
PubChem CID62731505
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(CC2CCOC2)c1
InChIInChI=1S/C11H19N3O/c1-9(12)4-11-5-13-14(7-11)6-10-2-3-15-8-10/h5,7,9-10H,2-4,6,8,12H2,1H3
InChIKeyMBDIXULAQJWCSG-UHFFFAOYSA-N
XLogP0.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(oxolan-3-ylmethyl)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

Related Compounds

(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 130791829
[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol
CID 129368074
3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine
CID 122240718
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62730979
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-4-yl]propan-2-amine
CID 116523916
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine
CID 62731862
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 62730914
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
4-(1-chloropropyl)-1-(oxan-4-ylmethyl)pyrazole
CID 62729493

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine (CID 62731505) is 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine is CC(N)Cc1cnn(CC2CCOC2)c1.
What is the InChIKey of 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is MBDIXULAQJWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(12)4-11-5-13-14(7-11)6-10-2-3-15-8-10/h5,7,9-10H,2-4,6,8,12H2,1H3.
What are the key properties of 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine?
1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 62731505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).