1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol

C14H16BrClN2O — CID 114633467

IUPAC1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Cl)c1C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrClN2O/c1-3-8-18-13(12(16)9-17-18)14(2,19)10-4-6-11(15)7-5-10/h4-7,9,19H,3,8H2,1-2H3
InChIKeyIOUPVAOMWAHABN-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol

1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol (PubChem CID 114633467) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
PubChem CID114633467
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Cl)c1C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrClN2O/c1-3-8-18-13(12(16)9-17-18)14(2,19)10-4-6-11(15)7-5-10/h4-7,9,19H,3,8H2,1-2H3
InChIKeyIOUPVAOMWAHABN-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol
CID 114633474
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633383
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol
CID 114083179
1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114637925
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
CID 114633471
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol
CID 114633784
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,4-dimethylphenyl)ethanol
CID 114633788
5-(4-bromo-2-methylpentan-2-yl)-4-chloro-1-propylpyrazole
CID 114665595
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114665970

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol (CID 114633467) is 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol is CCCn1ncc(Cl)c1C(C)(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
The InChIKey is IOUPVAOMWAHABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-3-8-18-13(12(16)9-17-18)14(2,19)10-4-6-11(15)7-5-10/h4-7,9,19H,3,8H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol has a molecular weight of 343.65 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114633467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).