4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole

C20H21BrN2O — CID 175634319

IUPAC4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCCc1nn(Cc2ccc(OC)cc2)cc1Cc1ccccc1Br
InChIInChI=1S/C20H21BrN2O/c1-3-20-17(12-16-6-4-5-7-19(16)21)14-23(22-20)13-15-8-10-18(24-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyNLDRHWIVHIUURH-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.86
Rot. Bonds6

About 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole

4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 175634319) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID175634319
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCCc1nn(Cc2ccc(OC)cc2)cc1Cc1ccccc1Br
InChIInChI=1S/C20H21BrN2O/c1-3-20-17(12-16-6-4-5-7-19(16)21)14-23(22-20)13-15-8-10-18(24-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyNLDRHWIVHIUURH-UHFFFAOYSA-N
XLogP4.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
CID 163384213
[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 174330913
1-benzyl-4-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 68654467
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
(2-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504596
3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 138111408
ethyl 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 66668814
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 87514486
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole (CID 175634319) is 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole is CCc1nn(Cc2ccc(OC)cc2)cc1Cc1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is NLDRHWIVHIUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-3-20-17(12-16-6-4-5-7-19(16)21)14-23(22-20)13-15-8-10-18(24-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole?
4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 385.31 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 175634319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).