2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol

C14H16Cl2N2O — CID 114643271

IUPAC2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Cl)c1C(O)Cc1ccccc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-2-7-18-14(12(16)9-17-18)13(19)8-10-5-3-4-6-11(10)15/h3-6,9,13,19H,2,7-8H2,1H3
InChIKeyVZWCCOWHBGVZCB-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.88
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol

2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol (PubChem CID 114643271) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
PubChem CID114643271
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Cl)c1C(O)Cc1ccccc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-2-7-18-14(12(16)9-17-18)13(19)8-10-5-3-4-6-11(10)15/h3-6,9,13,19H,2,7-8H2,1H3
InChIKeyVZWCCOWHBGVZCB-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol
CID 114642988
1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644612
1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol
CID 105128502
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114665868
1-(4-chloro-1-propylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927699
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209479
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol (CID 114643271) is 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol is CCCn1ncc(Cl)c1C(O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
The InChIKey is VZWCCOWHBGVZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-2-7-18-14(12(16)9-17-18)13(19)8-10-5-3-4-6-11(10)15/h3-6,9,13,19H,2,7-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol has a molecular weight of 299.20 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114643271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).