1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol

C14H26BrN3O2 — CID 114644489

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(C(O)c1c(Br)cnn1CCOC)N(C)C
InChIInChI=1S/C14H26BrN3O2/c1-6-14(7-2,17(3)4)13(19)12-11(15)10-16-18(12)8-9-20-5/h10,13,19H,6-9H2,1-5H3
InChIKeyCMPIPCZIRLXDAQ-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.45
Rot. Bonds8

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol (PubChem CID 114644489) has the molecular formula C14H26BrN3O2 and a molecular weight of 348.29 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol
PubChem CID114644489
Molecular FormulaC14H26BrN3O2
Molecular Weight348.29 g/mol
Exact Mass347.12
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(C(O)c1c(Br)cnn1CCOC)N(C)C
InChIInChI=1S/C14H26BrN3O2/c1-6-14(7-2,17(3)4)13(19)12-11(15)10-16-18(12)8-9-20-5/h10,13,19H,6-9H2,1-5H3
InChIKeyCMPIPCZIRLXDAQ-UHFFFAOYSA-N
XLogP2.45
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 114644453
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635717
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027706
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethyl-2-methoxybutan-1-ol
CID 114645774
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypentan-1-ol
CID 114645610
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxybutan-1-ol
CID 105128583
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 114636984
7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol
CID 114637094

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol (CID 114644489) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol is CCC(CC)(C(O)c1c(Br)cnn1CCOC)N(C)C.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol?
The InChIKey is CMPIPCZIRLXDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O2/c1-6-14(7-2,17(3)4)13(19)12-11(15)10-16-18(12)8-9-20-5/h10,13,19H,6-9H2,1-5H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol has a molecular weight of 348.29 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol is sourced from PubChem (CID 114644489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).