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

C11H19N3O — CID 122240718

IUPAC3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(CC2CCOC2)c1
InChIInChI=1S/C11H19N3O/c12-4-1-2-10-6-13-14(7-10)8-11-3-5-15-9-11/h6-7,11H,1-5,8-9,12H2
InChIKeySOCGOILNCKSQFX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.81
Rot. Bonds5

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

3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine (PubChem CID 122240718) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine
PubChem CID122240718
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(CC2CCOC2)c1
InChIInChI=1S/C11H19N3O/c12-4-1-2-10-6-13-14(7-10)8-11-3-5-15-9-11/h6-7,11H,1-5,8-9,12H2
InChIKeySOCGOILNCKSQFX-UHFFFAOYSA-N
XLogP0.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol
CID 129368074
1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62731505
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 130791829
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
3-(1-methylpyrazol-4-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887397
2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine
CID 166637790
3-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764974
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
CID 122240562
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine (CID 122240718) is 3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine is NCCCc1cnn(CC2CCOC2)c1.
What is the InChIKey of 3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is SOCGOILNCKSQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-4-1-2-10-6-13-14(7-10)8-11-3-5-15-9-11/h6-7,11H,1-5,8-9,12H2.
What are the key properties of 3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine?
3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 122240718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).