N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine

C14H28N4O — CID 54999803

IUPACN-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine
SMILESCCC(C)N(CCOC)c1c(CNC)c(C)nn1C
InChIInChI=1S/C14H28N4O/c1-7-11(2)18(8-9-19-6)14-13(10-15-4)12(3)16-17(14)5/h11,15H,7-10H2,1-6H3
InChIKeyJUFHFCXUBASCIL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.70
Rot. Bonds8

About N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine

N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine (PubChem CID 54999803) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine
PubChem CID54999803
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine
SMILESCCC(C)N(CCOC)c1c(CNC)c(C)nn1C
InChIInChI=1S/C14H28N4O/c1-7-11(2)18(8-9-19-6)14-13(10-15-4)12(3)16-17(14)5/h11,15H,7-10H2,1-6H3
InChIKeyJUFHFCXUBASCIL-UHFFFAOYSA-N
XLogP1.70
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine (CID 54999803) is N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine is CCC(C)N(CCOC)c1c(CNC)c(C)nn1C.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine?
The InChIKey is JUFHFCXUBASCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-7-11(2)18(8-9-19-6)14-13(10-15-4)12(3)16-17(14)5/h11,15H,7-10H2,1-6H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine?
N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine has a molecular weight of 268.40 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine is sourced from PubChem (CID 54999803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).