1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C14H26BrN3O — CID 103029369

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1c(Br)cnn1CC
InChIInChI=1S/C14H26BrN3O/c1-6-8-16-12(9-14(3,4)19-5)13-11(15)10-17-18(13)7-2/h10,12,16H,6-9H2,1-5H3
InChIKeyRCBURVNFYGQITI-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.52
Rot. Bonds8

About 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 103029369) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID103029369
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1c(Br)cnn1CC
InChIInChI=1S/C14H26BrN3O/c1-6-8-16-12(9-14(3,4)19-5)13-11(15)10-17-18(13)7-2/h10,12,16H,6-9H2,1-5H3
InChIKeyRCBURVNFYGQITI-UHFFFAOYSA-N
XLogP3.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 103029369) is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)c1c(Br)cnn1CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is RCBURVNFYGQITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O/c1-6-8-16-12(9-14(3,4)19-5)13-11(15)10-17-18(13)7-2/h10,12,16H,6-9H2,1-5H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103029369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).