4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole

C10H14Cl2N2 — CID 114665220

IUPAC4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole
SMILESCn1ncc(Cl)c1C1CCCC(Cl)C1
InChIInChI=1S/C10H14Cl2N2/c1-14-10(9(12)6-13-14)7-3-2-4-8(11)5-7/h6-8H,2-5H2,1H3
InChIKeyYMBKDSIEDDRWTM-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.34
Rot. Bonds1

About 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole

4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole (PubChem CID 114665220) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole
PubChem CID114665220
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole
SMILESCn1ncc(Cl)c1C1CCCC(Cl)C1
InChIInChI=1S/C10H14Cl2N2/c1-14-10(9(12)6-13-14)7-3-2-4-8(11)5-7/h6-8H,2-5H2,1H3
InChIKeyYMBKDSIEDDRWTM-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-4-cyclopropyl-1-methyl-1H-pyrazole
CID 165747451
1,3-Diethyl-4-chloropyrazole
CID 12157111
4-Chloro-3-(1-fluoro-2-methylpropan-2-yl)-1-methylpyrazole
CID 123977357
4-Chloro-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 173588792
4-Chloro-5-cyclopropyl-1-(2,2-difluoroethyl)pyrazole
CID 173588855
4-Chloro-5-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 173588934
4-Chloro-1-(2,2-difluoroethyl)-5-propan-2-ylpyrazole
CID 173589066
4-Chloro-5-cyclobutyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 174817175
4-Chloro-5-cyclobutyl-1-(2,2-difluoroethyl)pyrazole
CID 174817209
4-Chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)pyrazole
CID 175828689
1-Ethyl-3-propyl-4-chloropyrazole
CID 12157113
3-(4-Chloro-1-methylpyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 83919485

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole?
The IUPAC name of 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole (CID 114665220) is 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole?
The canonical SMILES for 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole is Cn1ncc(Cl)c1C1CCCC(Cl)C1.
What is the InChIKey of 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole?
The InChIKey is YMBKDSIEDDRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-14-10(9(12)6-13-14)7-3-2-4-8(11)5-7/h6-8H,2-5H2,1H3.
What are the key properties of 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole?
4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole has a molecular weight of 233.14 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole is sourced from PubChem (CID 114665220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).