1-(6-chlorohexyl)-3,5-dimethylpyrazole

C11H19ClN2 — CID 62227990

IUPAC1-(6-chlorohexyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCCCCCCl)n1
InChIInChI=1S/C11H19ClN2/c1-10-9-11(2)14(13-10)8-6-4-3-5-7-12/h9H,3-8H2,1-2H3
InChIKeyAKFWJZYPKNTAIX-UHFFFAOYSA-N
MW214.74 g/mol
LogP3.30
Rot. Bonds6

About 1-(6-chlorohexyl)-3,5-dimethylpyrazole

1-(6-chlorohexyl)-3,5-dimethylpyrazole (PubChem CID 62227990) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 1-(6-chlorohexyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(6-chlorohexyl)-3,5-dimethylpyrazole
PubChem CID62227990
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name1-(6-chlorohexyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCCCCCCl)n1
InChIInChI=1S/C11H19ClN2/c1-10-9-11(2)14(13-10)8-6-4-3-5-7-12/h9H,3-8H2,1-2H3
InChIKeyAKFWJZYPKNTAIX-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 62449266
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
1-(6-chlorohexyl)-4,6-dimethylpyrimidin-2-one
CID 62227989
3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
CID 114836170
1-(3-bromo-3-chloropropyl)-3,5-dimethylpyrazole
CID 57143513
1-ethyl-3,5-dimethylpyrazole
CID 565993
4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole
CID 43138459

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(6-chlorohexyl)-3,5-dimethylpyrazole (CID 62227990) is 1-(6-chlorohexyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(6-chlorohexyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(6-chlorohexyl)-3,5-dimethylpyrazole is Cc1cc(C)n(CCCCCCCl)n1.
What is the InChIKey of 1-(6-chlorohexyl)-3,5-dimethylpyrazole?
The InChIKey is AKFWJZYPKNTAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2/c1-10-9-11(2)14(13-10)8-6-4-3-5-7-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-(6-chlorohexyl)-3,5-dimethylpyrazole?
1-(6-chlorohexyl)-3,5-dimethylpyrazole has a molecular weight of 214.74 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 62227990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).