1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C14H27N3O — CID 103031350

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(C)nn1C
InChIInChI=1S/C14H27N3O/c1-7-15-12(8-9-14(3,4)18-6)13-10-11(2)16-17(13)5/h10,12,15H,7-9H2,1-6H3
InChIKeyBFUXELCXMVFEAL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.58
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031350) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031350
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(C)nn1C
InChIInChI=1S/C14H27N3O/c1-7-15-12(8-9-14(3,4)18-6)13-10-11(2)16-17(13)5/h10,12,15H,7-9H2,1-6H3
InChIKeyBFUXELCXMVFEAL-UHFFFAOYSA-N
XLogP2.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031350) is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is BFUXELCXMVFEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-7-15-12(8-9-14(3,4)18-6)13-10-11(2)16-17(13)5/h10,12,15H,7-9H2,1-6H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).