1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole

C15H19BrN2O — CID 82695018

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(Cc2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C15H19BrN2O/c1-4-12-9-13(5-2)18(17-12)10-11-6-7-15(19-3)14(16)8-11/h6-9H,4-5,10H2,1-3H3
InChIKeyXMTDWEVBOVMEMR-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.83
Rot. Bonds5

About 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole

1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole (PubChem CID 82695018) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole
PubChem CID82695018
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(Cc2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C15H19BrN2O/c1-4-12-9-13(5-2)18(17-12)10-11-6-7-15(19-3)14(16)8-11/h6-9H,4-5,10H2,1-3H3
InChIKeyXMTDWEVBOVMEMR-UHFFFAOYSA-N
XLogP3.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine
CID 82703238
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
CID 103098693
1-[(3-bromo-4-methoxyphenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784664
[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 82691975
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
1-(3-bromo-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778986
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid
CID 105345519
2-[(3-bromo-4-methoxyphenyl)methyl]-5-iodopyridazin-3-one
CID 114553704
1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-4-one
CID 55127426
1-[1-[(3-bromo-4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718473
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole (CID 82695018) is 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole is CCc1cc(CC)n(Cc2ccc(OC)c(Br)c2)n1.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole?
The InChIKey is XMTDWEVBOVMEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-12-9-13(5-2)18(17-12)10-11-6-7-15(19-3)14(16)8-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole?
1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole has a molecular weight of 323.23 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole is sourced from PubChem (CID 82695018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).