1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol

C14H16BrClN2O — CID 82779360

IUPAC1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(C)(O)c2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C14H16BrClN2O/c1-3-6-18-9-10(8-17-18)14(2,19)12-5-4-11(15)7-13(12)16/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyJWWHYNLEXRPYSN-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol

1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 82779360) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID82779360
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(C)(O)c2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C14H16BrClN2O/c1-3-6-18-9-10(8-17-18)14(2,19)12-5-4-11(15)7-13(12)16/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyJWWHYNLEXRPYSN-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-(2-Bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol
CID 166560031
2-(2-Chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 55144646
(2-Chloro-4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088215
(2-Chloro-6-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088399
(4-Bromo-2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088758
1-(2,4-Dichloro-5-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol
CID 61676218
1-(2,4-Dichloro-5-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 61676219
1-(2,4-Dichloro-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 61676395
(2-Chloro-4-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 62944177
(2-Chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 62944682
2-(2-Chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
(2-Chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894473

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol (CID 82779360) is 1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(C)(O)c2ccc(Br)cc2Cl)cn1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is JWWHYNLEXRPYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-3-6-18-9-10(8-17-18)14(2,19)12-5-4-11(15)7-13(12)16/h4-5,7-9,19H,3,6H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-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-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 82779360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).