3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine

C14H27N3O — CID 114666746

IUPAC3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine
SMILESCCCn1ncc(OC)c1C(C)CCNC(C)C
InChIInChI=1S/C14H27N3O/c1-6-9-17-14(13(18-5)10-16-17)12(4)7-8-15-11(2)3/h10-12,15H,6-9H2,1-5H3
InChIKeyMREGJXAWTVVLFS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.79
Rot. Bonds8

About 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine

3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 114666746) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine
PubChem CID114666746
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine
SMILESCCCn1ncc(OC)c1C(C)CCNC(C)C
InChIInChI=1S/C14H27N3O/c1-6-9-17-14(13(18-5)10-16-17)12(4)7-8-15-11(2)3/h10-12,15H,6-9H2,1-5H3
InChIKeyMREGJXAWTVVLFS-UHFFFAOYSA-N
XLogP2.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114666702
N-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114657709
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
[1-(4-methoxy-1-propylpyrazol-5-yl)-2,3-dimethylbutyl]hydrazine
CID 105339861
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutyl]hydrazine
CID 114282170
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114643704
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114644693
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
CID 114652904
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpentan-2-amine
CID 114664610

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine (CID 114666746) is 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine is CCCn1ncc(OC)c1C(C)CCNC(C)C.
What is the InChIKey of 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is MREGJXAWTVVLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-9-17-14(13(18-5)10-16-17)12(4)7-8-15-11(2)3/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine?
3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 114666746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).