1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine

C12H21N3O — CID 79596667

IUPAC1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCOC1c1cnn(C)c1C
InChIInChI=1S/C12H21N3O/c1-9-11(8-14-15(9)3)12-10(7-13-2)5-4-6-16-12/h8,10,12-13H,4-7H2,1-3H3
InChIKeyADNDQCYTGWBRJS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds3

About 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine

1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine (PubChem CID 79596667) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine
PubChem CID79596667
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCOC1c1cnn(C)c1C
InChIInChI=1S/C12H21N3O/c1-9-11(8-14-15(9)3)12-10(7-13-2)5-4-6-16-12/h8,10,12-13H,4-7H2,1-3H3
InChIKeyADNDQCYTGWBRJS-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol
CID 79595799
1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 79584048
N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine
CID 79365081
N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine
CID 104824119
1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 79584422
1-[4-cyclopropyl-3-(1,5-dimethylpyrazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 79583955
N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine
CID 104772230
1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79365802
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine
CID 128992031
1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79364625
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128969421
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
CID 129005026

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine (CID 79596667) is 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine is CNCC1CCCOC1c1cnn(C)c1C.
What is the InChIKey of 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine?
The InChIKey is ADNDQCYTGWBRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-11(8-14-15(9)3)12-10(7-13-2)5-4-6-16-12/h8,10,12-13H,4-7H2,1-3H3.
What are the key properties of 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine?
1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79596667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).