1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

C12H21N3O2 — CID 105047047

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1c(OC)cnn1C)C1OCCC1C
InChIInChI=1S/C12H21N3O2/c1-8-5-6-17-12(8)10(13-2)11-9(16-4)7-14-15(11)3/h7-8,10,12-13H,5-6H2,1-4H3
InChIKeyCNOBMUYHDQLYLI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.11
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (PubChem CID 105047047) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
PubChem CID105047047
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1c(OC)cnn1C)C1OCCC1C
InChIInChI=1S/C12H21N3O2/c1-8-5-6-17-12(8)10(13-2)11-9(16-4)7-14-15(11)3/h7-8,10,12-13H,5-6H2,1-4H3
InChIKeyCNOBMUYHDQLYLI-UHFFFAOYSA-N
XLogP1.11
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105047110
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105048203
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine
CID 105048076
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105032819
1-(4,4-difluorocyclohexyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105186369
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105047333
[6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339126
[(4,4-dimethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105231780
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105186404
[(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 105248155
[(4-tert-butylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105232753

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (CID 105047047) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is CNC(c1c(OC)cnn1C)C1OCCC1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The InChIKey is CNOBMUYHDQLYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-5-6-17-12(8)10(13-2)11-9(16-4)7-14-15(11)3/h7-8,10,12-13H,5-6H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine has a molecular weight of 239.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105047047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).