2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol

C14H21BrN4O — CID 103572568

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2c(Br)c(CC)nn2C)cn1
InChIInChI=1S/C14H21BrN4O/c1-4-6-19-9-10(8-16-19)13(20)7-12-14(15)11(5-2)17-18(12)3/h8-9,13,20H,4-7H2,1-3H3
InChIKeyUKXFLARALCAVJZ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.63
Rot. Bonds6

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 103572568) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID103572568
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2c(Br)c(CC)nn2C)cn1
InChIInChI=1S/C14H21BrN4O/c1-4-6-19-9-10(8-16-19)13(20)7-12-14(15)11(5-2)17-18(12)3/h8-9,13,20H,4-7H2,1-3H3
InChIKeyUKXFLARALCAVJZ-UHFFFAOYSA-N
XLogP2.63
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695456
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethanol
CID 105105629
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572643
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105694
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105105696
(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702766
2-(2-methyltetrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 107046537
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105105690
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107538274
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol (CID 103572568) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)Cc2c(Br)c(CC)nn2C)cn1.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is UKXFLARALCAVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-4-6-19-9-10(8-16-19)13(20)7-12-14(15)11(5-2)17-18(12)3/h8-9,13,20H,4-7H2,1-3H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 341.25 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103572568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).