1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol

C11H19ClN2O — CID 114635666

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
SMILESCCCCCCC(O)c1c(Cl)cnn1C
InChIInChI=1S/C11H19ClN2O/c1-3-4-5-6-7-10(15)11-9(12)8-13-14(11)2/h8,10,15H,3-7H2,1-2H3
InChIKeyAUKVQHBYKIELIR-UHFFFAOYSA-N
MW230.74 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol (PubChem CID 114635666) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
PubChem CID114635666
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
SMILESCCCCCCC(O)c1c(Cl)cnn1C
InChIInChI=1S/C11H19ClN2O/c1-3-4-5-6-7-10(15)11-9(12)8-13-14(11)2/h8,10,15H,3-7H2,1-2H3
InChIKeyAUKVQHBYKIELIR-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 114665843
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol (CID 114635666) is 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol is CCCCCCC(O)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol?
The InChIKey is AUKVQHBYKIELIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-3-4-5-6-7-10(15)11-9(12)8-13-14(11)2/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol has a molecular weight of 230.74 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol is sourced from PubChem (CID 114635666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).