1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C12H21N3O — CID 103030614

IUPAC1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCC1CCOC1C(N)CCc1ccnn1C
InChIInChI=1S/C12H21N3O/c1-9-6-8-16-12(9)11(13)4-3-10-5-7-14-15(10)2/h5,7,9,11-12H,3-4,6,8,13H2,1-2H3
InChIKeyLMLJRTJENIVLBO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.11
Rot. Bonds4

About 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030614) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030614
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCC1CCOC1C(N)CCc1ccnn1C
InChIInChI=1S/C12H21N3O/c1-9-6-8-16-12(9)11(13)4-3-10-5-7-14-15(10)2/h5,7,9,11-12H,3-4,6,8,13H2,1-2H3
InChIKeyLMLJRTJENIVLBO-UHFFFAOYSA-N
XLogP1.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-[(2R,3S)-2-(1-methyl-1H-pyrazol-5-yl)oxan-3-yl]methanamine
CID 122164438
rac-((2R,3S)-2-(1-methyl-1H-pyrazol-5-yl)oxolan-3-yl)methanamine dihydrochloride
CID 86811701
[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 86811549
[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444856
(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444857
(R)-(4,4-difluoro-2-methyloxolan-2-yl)-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444859
[4-Methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 103025446
[1-(2-Methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-yl]hydrazine
CID 103025991
[1-(2-Methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026043
[1-(5-Methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026047
[4-Methoxy-4-methyl-1-(2-methylpyrazol-3-yl)pentan-3-yl]hydrazine
CID 103026078
[1-Ethoxy-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026089

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030614) is 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine is CC1CCOC1C(N)CCc1ccnn1C.
What is the InChIKey of 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is LMLJRTJENIVLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-6-8-16-12(9)11(13)4-3-10-5-7-14-15(10)2/h5,7,9,11-12H,3-4,6,8,13H2,1-2H3.
What are the key properties of 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).