[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine

C11H19N3O — CID 65165798

IUPAC[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
SMILESCc1nn(CCC2CCCO2)cc1CN
InChIInChI=1S/C11H19N3O/c1-9-10(7-12)8-14(13-9)5-4-11-3-2-6-15-11/h8,11H,2-7,12H2,1H3
InChIKeyVFJSBIBAQDLKDI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.22
Rot. Bonds4

About [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine

[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine (PubChem CID 65165798) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
PubChem CID65165798
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
SMILESCc1nn(CCC2CCCO2)cc1CN
InChIInChI=1S/C11H19N3O/c1-9-10(7-12)8-14(13-9)5-4-11-3-2-6-15-11/h8,11H,2-7,12H2,1H3
InChIKeyVFJSBIBAQDLKDI-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165187
2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 65165467
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429
3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 107073173
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
CID 65173175
1-cyclopropyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
CID 46986198
1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole
CID 65165120
1-(1-cyclopentylpiperidin-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25454389
4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65165440
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962826

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine (CID 65165798) is [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine is Cc1nn(CCC2CCCO2)cc1CN.
What is the InChIKey of [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine?
The InChIKey is VFJSBIBAQDLKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-10(7-12)8-14(13-9)5-4-11-3-2-6-15-11/h8,11H,2-7,12H2,1H3.
What are the key properties of [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine?
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 65165798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).