4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol

C10H16Cl2N2O — CID 114644194

IUPAC4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
SMILESCC(C)n1ncc(Cl)c1C(O)CCCCl
InChIInChI=1S/C10H16Cl2N2O/c1-7(2)14-10(8(12)6-13-14)9(15)4-3-5-11/h6-7,9,15H,3-5H2,1-2H3
InChIKeyUGDFEEOJSSESRV-UHFFFAOYSA-N
MW251.16 g/mol
LogP3.17
Rot. Bonds5

About 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol

4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol (PubChem CID 114644194) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
PubChem CID114644194
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
SMILESCC(C)n1ncc(Cl)c1C(O)CCCCl
InChIInChI=1S/C10H16Cl2N2O/c1-7(2)14-10(8(12)6-13-14)9(15)4-3-5-11/h6-7,9,15H,3-5H2,1-2H3
InChIKeyUGDFEEOJSSESRV-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-ethoxybutan-1-ol
CID 105128291
2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol
CID 105128173
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 114643493
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-2-one
CID 114663646
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol
CID 105132601
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propan-2-ylpentan-1-amine
CID 114657485

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol?
The IUPAC name of 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol (CID 114644194) is 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol.
What is the SMILES notation for 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol?
The canonical SMILES for 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol is CC(C)n1ncc(Cl)c1C(O)CCCCl.
What is the InChIKey of 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol?
The InChIKey is UGDFEEOJSSESRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2O/c1-7(2)14-10(8(12)6-13-14)9(15)4-3-5-11/h6-7,9,15H,3-5H2,1-2H3.
What are the key properties of 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol?
4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol has a molecular weight of 251.16 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol is sourced from PubChem (CID 114644194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).