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

C15H29N3O — CID 105158603

IUPAC1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(C)nn1C)CC(C)COC
InChIInChI=1S/C15H29N3O/c1-6-7-16-14(8-12(2)11-19-5)10-15-9-13(3)17-18(15)4/h9,12,14,16H,6-8,10-11H2,1-5H3
InChIKeyYQALVPBTCJYVQX-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.31
Rot. Bonds9

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

1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 105158603) 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-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID105158603
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(C)nn1C)CC(C)COC
InChIInChI=1S/C15H29N3O/c1-6-7-16-14(8-12(2)11-19-5)10-15-9-13(3)17-18(15)4/h9,12,14,16H,6-8,10-11H2,1-5H3
InChIKeyYQALVPBTCJYVQX-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105162393
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
CID 105158544
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
N-[1-(3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996379
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
[1-(2,5-dimethylpyrazol-3-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225066
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104996311
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
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine (CID 105158603) is 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1cc(C)nn1C)CC(C)COC.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is YQALVPBTCJYVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-7-16-14(8-12(2)11-19-5)10-15-9-13(3)17-18(15)4/h9,12,14,16H,6-8,10-11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.31, 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-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 105158603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).