3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol

C14H16Br2N2O — CID 79438618

IUPAC3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol
SMILESCc1nn(C)c(CC(CO)c2ccc(Br)cc2)c1Br
InChIInChI=1S/C14H16Br2N2O/c1-9-14(16)13(18(2)17-9)7-11(8-19)10-3-5-12(15)6-4-10/h3-6,11,19H,7-8H2,1-2H3
InChIKeyDQNUGWYQEJKHFB-UHFFFAOYSA-N
MW388.10 g/mol
LogP3.57
Rot. Bonds4

About 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol

3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol (PubChem CID 79438618) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol
PubChem CID79438618
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol
SMILESCc1nn(C)c(CC(CO)c2ccc(Br)cc2)c1Br
InChIInChI=1S/C14H16Br2N2O/c1-9-14(16)13(18(2)17-9)7-11(8-19)10-3-5-12(15)6-4-10/h3-6,11,19H,7-8H2,1-2H3
InChIKeyDQNUGWYQEJKHFB-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol
CID 79438552
(1S)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
CID 81359014
4-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]-1-ethyl-3-methylpyrazole
CID 79435088
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195516
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol
CID 107947600
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756796
(2S)-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79249368
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
CID 79432079
4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 66049822
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81492694
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79449234

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol?
The IUPAC name of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol (CID 79438618) is 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol is Cc1nn(C)c(CC(CO)c2ccc(Br)cc2)c1Br.
What is the InChIKey of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol?
The InChIKey is DQNUGWYQEJKHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-9-14(16)13(18(2)17-9)7-11(8-19)10-3-5-12(15)6-4-10/h3-6,11,19H,7-8H2,1-2H3.
What are the key properties of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol?
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol has a molecular weight of 388.10 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol is sourced from PubChem (CID 79438618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).