1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine

C14H25N3O — CID 83094920

IUPAC1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1CCOC1c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-14(2,3)13-11(9-17(5)16-13)12-10(8-15-4)6-7-18-12/h9-10,12,15H,6-8H2,1-5H3
InChIKeyFNCXEBHFSQBYQA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.01
Rot. Bonds3

About 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine

1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine (PubChem CID 83094920) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine
PubChem CID83094920
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1CCOC1c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-14(2,3)13-11(9-17(5)16-13)12-10(8-15-4)6-7-18-12/h9-10,12,15H,6-8H2,1-5H3
InChIKeyFNCXEBHFSQBYQA-UHFFFAOYSA-N
XLogP2.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylmorpholin-2-yl]-N-methylmethanamine
CID 83094871
N-[[2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]methyl]propan-1-amine
CID 83095108
2-(3-tert-butyl-1-methylpyrazol-4-yl)oxan-4-amine
CID 83094239
4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
CID 83095090
1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367948
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 114110449
1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine
CID 79596667
(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine
CID 122164050
N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine
CID 79365081
2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 165450030
(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 122164049
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 115883584

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine (CID 83094920) is 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine is CNCC1CCOC1c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine?
The InChIKey is FNCXEBHFSQBYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,3)13-11(9-17(5)16-13)12-10(8-15-4)6-7-18-12/h9-10,12,15H,6-8H2,1-5H3.
What are the key properties of 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine?
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83094920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).