4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine

C15H29N3O — CID 103012292

IUPAC4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1ccnn1C)C(CCC)OC
InChIInChI=1S/C15H29N3O/c1-5-7-15(19-4)14(16-11-6-2)9-8-13-10-12-17-18(13)3/h10,12,14-16H,5-9,11H2,1-4H3
InChIKeyKQNKSSXLUOHBKU-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.54
Rot. Bonds10

About 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine

4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine (PubChem CID 103012292) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine.

Molecular Properties

Compound Name4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
PubChem CID103012292
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1ccnn1C)C(CCC)OC
InChIInChI=1S/C15H29N3O/c1-5-7-15(19-4)14(16-11-6-2)9-8-13-10-12-17-18(13)3/h10,12,14-16H,5-9,11H2,1-4H3
InChIKeyKQNKSSXLUOHBKU-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103010336
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine?
The IUPAC name of 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine (CID 103012292) is 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine.
What is the SMILES notation for 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine?
The canonical SMILES for 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine is CCCNC(CCc1ccnn1C)C(CCC)OC.
What is the InChIKey of 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine?
The InChIKey is KQNKSSXLUOHBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-7-15(19-4)14(16-11-6-2)9-8-13-10-12-17-18(13)3/h10,12,14-16H,5-9,11H2,1-4H3.
What are the key properties of 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine?
4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine has a molecular weight of 267.42 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine is sourced from PubChem (CID 103012292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).