1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine

C12H21N3O — CID 115888839

IUPAC1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(CC1CCCO1)NCCn1cccn1
InChIInChI=1S/C12H21N3O/c1-11(10-12-4-2-9-16-12)13-6-8-15-7-3-5-14-15/h3,5,7,11-13H,2,4,6,8-10H2,1H3
InChIKeyPMZPBFDQMUNWLP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds6

About 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine

1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine (PubChem CID 115888839) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
PubChem CID115888839
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(CC1CCCO1)NCCn1cccn1
InChIInChI=1S/C12H21N3O/c1-11(10-12-4-2-9-16-12)13-6-8-15-7-3-5-14-15/h3,5,7,11-13H,2,4,6,8-10H2,1H3
InChIKeyPMZPBFDQMUNWLP-UHFFFAOYSA-N
XLogP1.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 97065320
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94178029
2-methyl-1-(oxolan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111136571
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 124852947
N-benzyl-1-(oxolan-2-yl)propan-2-amine
CID 122156962
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63975942

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The IUPAC name of 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine (CID 115888839) is 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine is CC(CC1CCCO1)NCCn1cccn1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The InChIKey is PMZPBFDQMUNWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(10-12-4-2-9-16-12)13-6-8-15-7-3-5-14-15/h3,5,7,11-13H,2,4,6,8-10H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine?
1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine is sourced from PubChem (CID 115888839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).