6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol

C10H17ClN2O — CID 103008236

IUPAC6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
SMILESCn1cc(CCC(O)CCCCl)cn1
InChIInChI=1S/C10H17ClN2O/c1-13-8-9(7-12-13)4-5-10(14)3-2-6-11/h7-8,10,14H,2-6H2,1H3
InChIKeyYEUDHMXSGSDSLV-UHFFFAOYSA-N
MW216.71 g/mol
LogP1.73
Rot. Bonds6

About 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol

6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol (PubChem CID 103008236) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol.

Molecular Properties

Compound Name6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
PubChem CID103008236
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
SMILESCn1cc(CCC(O)CCCCl)cn1
InChIInChI=1S/C10H17ClN2O/c1-13-8-9(7-12-13)4-5-10(14)3-2-6-11/h7-8,10,14H,2-6H2,1H3
InChIKeyYEUDHMXSGSDSLV-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol 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

1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
CID 103027778
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 65091906
4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
2-(chloromethyl)-4-(1-methylpyrazol-4-yl)butanenitrile
CID 103015098
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol?
The IUPAC name of 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol (CID 103008236) is 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol.
What is the SMILES notation for 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol?
The canonical SMILES for 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol is Cn1cc(CCC(O)CCCCl)cn1.
What is the InChIKey of 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol?
The InChIKey is YEUDHMXSGSDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c1-13-8-9(7-12-13)4-5-10(14)3-2-6-11/h7-8,10,14H,2-6H2,1H3.
What are the key properties of 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol?
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol has a molecular weight of 216.71 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol is sourced from PubChem (CID 103008236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).