2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol

C15H18ClFN2O — CID 114832778

IUPAC2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol
SMILESCCCn1ncc(Cl)c1C(C)(O)Cc1ccccc1F
InChIInChI=1S/C15H18ClFN2O/c1-3-8-19-14(12(16)10-18-19)15(2,20)9-11-6-4-5-7-13(11)17/h4-7,10,20H,3,8-9H2,1-2H3
InChIKeySGUDDFWCBNYOQO-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol

2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol (PubChem CID 114832778) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol
PubChem CID114832778
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol
SMILESCCCn1ncc(Cl)c1C(C)(O)Cc1ccccc1F
InChIInChI=1S/C15H18ClFN2O/c1-3-8-19-14(12(16)10-18-19)15(2,20)9-11-6-4-5-7-13(11)17/h4-7,10,20H,3,8-9H2,1-2H3
InChIKeySGUDDFWCBNYOQO-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(2-propylpyrazol-3-yl)propan-2-ol
CID 114832710
2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114665970
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol
CID 114633412
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633383
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 63406675
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
5-(4-bromo-2-methylpentan-2-yl)-4-chloro-1-propylpyrazole
CID 114665595
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2-fluorophenyl)-2-(6-methyl-3-pyridinyl)propan-2-ol
CID 114832739

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol (CID 114832778) is 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol is CCCn1ncc(Cl)c1C(C)(O)Cc1ccccc1F.
What is the InChIKey of 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol?
The InChIKey is SGUDDFWCBNYOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c1-3-8-19-14(12(16)10-18-19)15(2,20)9-11-6-4-5-7-13(11)17/h4-7,10,20H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol?
2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol has a molecular weight of 296.77 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 114832778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).