1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine

C15H26N4O — CID 66371633

IUPAC1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N1CC2CCC(C1)O2
InChIInChI=1S/C15H26N4O/c1-4-11(16)7-14-10(2)17-18(3)15(14)19-8-12-5-6-13(9-19)20-12/h11-13H,4-9,16H2,1-3H3
InChIKeyKIESYWVZLNFTFM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.38
Rot. Bonds4

About 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine

1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine (PubChem CID 66371633) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine
PubChem CID66371633
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N1CC2CCC(C1)O2
InChIInChI=1S/C15H26N4O/c1-4-11(16)7-14-10(2)17-18(3)15(14)19-8-12-5-6-13(9-19)20-12/h11-13H,4-9,16H2,1-3H3
InChIKeyKIESYWVZLNFTFM-UHFFFAOYSA-N
XLogP1.38
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine
CID 66392435
1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine
CID 63795740
1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine
CID 55237371
1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63786634
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 115562579
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63816431
1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66370852
[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 43122234
1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63793784
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66371244
4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 63817739

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine (CID 66371633) is 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine is CCC(N)Cc1c(C)nn(C)c1N1CC2CCC(C1)O2.
What is the InChIKey of 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine?
The InChIKey is KIESYWVZLNFTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-11(16)7-14-10(2)17-18(3)15(14)19-8-12-5-6-13(9-19)20-12/h11-13H,4-9,16H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine?
1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 66371633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).