4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine

C15H28N4O — CID 63817739

IUPAC4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N(C)CC1CCCO1
InChIInChI=1S/C15H28N4O/c1-5-12(16)9-14-11(2)17-19(4)15(14)18(3)10-13-7-6-8-20-13/h12-13H,5-10,16H2,1-4H3
InChIKeyWMUOGCVDSZJMTA-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.62
Rot. Bonds6

About 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine

4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine (PubChem CID 63817739) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine
PubChem CID63817739
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N(C)CC1CCCO1
InChIInChI=1S/C15H28N4O/c1-5-12(16)9-14-11(2)17-19(4)15(14)18(3)10-13-7-6-8-20-13/h12-13H,5-10,16H2,1-4H3
InChIKeyWMUOGCVDSZJMTA-UHFFFAOYSA-N
XLogP1.62
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine (CID 63817739) is 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine is CCC(N)Cc1c(C)nn(C)c1N(C)CC1CCCO1.
What is the InChIKey of 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine?
The InChIKey is WMUOGCVDSZJMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-12(16)9-14-11(2)17-19(4)15(14)18(3)10-13-7-6-8-20-13/h12-13H,5-10,16H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine?
4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine has a molecular weight of 280.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 63817739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).