[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol

C13H19BrN4O2 — CID 114638085

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1c(Br)cnn1CCOC
InChIInChI=1S/C13H19BrN4O2/c1-4-11-9(8-17(2)16-11)13(19)12-10(14)7-15-18(12)5-6-20-3/h7-8,13,19H,4-6H2,1-3H3
InChIKeyFLWIBPKEDJNOIG-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.67
Rot. Bonds6

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol (PubChem CID 114638085) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
PubChem CID114638085
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1c(Br)cnn1CCOC
InChIInChI=1S/C13H19BrN4O2/c1-4-11-9(8-17(2)16-11)13(19)12-10(14)7-15-18(12)5-6-20-3/h7-8,13,19H,4-6H2,1-3H3
InChIKeyFLWIBPKEDJNOIG-UHFFFAOYSA-N
XLogP1.67
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812858
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol
CID 107978687
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 114636984
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638030
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
CID 106790609
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638084
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
CID 114635767
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
CID 115835806

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol (CID 114638085) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol is CCc1nn(C)cc1C(O)c1c(Br)cnn1CCOC.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The InChIKey is FLWIBPKEDJNOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-4-11-9(8-17(2)16-11)13(19)12-10(14)7-15-18(12)5-6-20-3/h7-8,13,19H,4-6H2,1-3H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol has a molecular weight of 343.23 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 114638085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).