2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol

C14H16ClFN2O — CID 103572619

IUPAC2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C14H16ClFN2O/c1-2-5-18-9-11(8-17-18)14(19)6-10-3-4-12(15)7-13(10)16/h3-4,7-9,14,19H,2,5-6H2,1H3
InChIKeyMVEQKPKXCCCPAP-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.36
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol

2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 103572619) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID103572619
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C14H16ClFN2O/c1-2-5-18-9-11(8-17-18)14(19)6-10-3-4-12(15)7-13(10)16/h3-4,7-9,14,19H,2,5-6H2,1H3
InChIKeyMVEQKPKXCCCPAP-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217842
(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 63895060
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572658
2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 114851952
(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774
1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 65318492
(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 81436029
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 103041267

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol (CID 103572619) is 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)Cc2ccc(Cl)cc2F)cn1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is MVEQKPKXCCCPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-2-5-18-9-11(8-17-18)14(19)6-10-3-4-12(15)7-13(10)16/h3-4,7-9,14,19H,2,5-6H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 282.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103572619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).