1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C15H29N3O — CID 103031679

IUPAC1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(C)nn1C
InChIInChI=1S/C15H29N3O/c1-7-10-16-13(8-9-15(3,4)19-6)14-11-12(2)17-18(14)5/h11,13,16H,7-10H2,1-6H3
InChIKeyIQYYQOXHQAXVPX-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.97
Rot. Bonds8

About 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103031679) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103031679
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(C)nn1C
InChIInChI=1S/C15H29N3O/c1-7-10-16-13(8-9-15(3,4)19-6)14-11-12(2)17-18(14)5/h11,13,16H,7-10H2,1-6H3
InChIKeyIQYYQOXHQAXVPX-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.97
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)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103031679) is 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is IQYYQOXHQAXVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-10-16-13(8-9-15(3,4)19-6)14-11-12(2)17-18(14)5/h11,13,16H,7-10H2,1-6H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.97, 8 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)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).