1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine

C15H29N3O — CID 105158544

IUPAC1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)OC)Cc1cc(C)nn1C
InChIInChI=1S/C15H29N3O/c1-6-9-16-14(8-7-13(3)19-5)11-15-10-12(2)17-18(15)4/h10,13-14,16H,6-9,11H2,1-5H3
InChIKeyPJIDAIDGYLYGTO-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.45
Rot. Bonds9

About 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine (PubChem CID 105158544) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
PubChem CID105158544
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)OC)Cc1cc(C)nn1C
InChIInChI=1S/C15H29N3O/c1-6-9-16-14(8-7-13(3)19-5)11-15-10-12(2)17-18(15)4/h10,13-14,16H,6-9,11H2,1-5H3
InChIKeyPJIDAIDGYLYGTO-UHFFFAOYSA-N
XLogP2.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105158603
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236
5-methoxy-N-propyl-1-(2,4,6-trimethylphenyl)hexan-2-amine
CID 105120818
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
CID 116718230
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine
CID 116722727
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine
CID 104996074
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771
4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018593
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240
N-[1-(3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996379

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine (CID 105158544) is 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine is CCCNC(CCC(C)OC)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine?
The InChIKey is PJIDAIDGYLYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-9-16-14(8-7-13(3)19-5)11-15-10-12(2)17-18(15)4/h10,13-14,16H,6-9,11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.45, 9 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)-5-methoxy-N-propylhexan-2-amine is sourced from PubChem (CID 105158544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).