4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole

C10H16Cl2N2 — CID 66060387

IUPAC4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC(C)(C)CCl)c1Cl
InChIInChI=1S/C10H16Cl2N2/c1-7-9(12)8(14(4)13-7)5-10(2,3)6-11/h5-6H2,1-4H3
InChIKeyKZTRUXSMSDCHEH-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.19
Rot. Bonds3

About 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole

4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole (PubChem CID 66060387) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole
PubChem CID66060387
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC(C)(C)CCl)c1Cl
InChIInChI=1S/C10H16Cl2N2/c1-7-9(12)8(14(4)13-7)5-10(2,3)6-11/h5-6H2,1-4H3
InChIKeyKZTRUXSMSDCHEH-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.19
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

4-chloro-5-[2-(chloromethyl)-2-ethylbutyl]-1,3-dimethylpyrazole
CID 66034043
4-chloro-5-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-dimethylpyrazole
CID 79446784
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79449846
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66039637
N-tert-butyl-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-methylbut-3-en-1-amine
CID 102641349
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine
CID 112567911
4-chloro-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,2-dimethylbutan-1-amine
CID 106140381
5-[2-(bromomethyl)-3,3-dimethylbutyl]-4-chloro-1,3-dimethylpyrazole
CID 83141707
N'-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79651963
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83159945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole (CID 66060387) is 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole is Cc1nn(C)c(CC(C)(C)CCl)c1Cl.
What is the InChIKey of 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole?
The InChIKey is KZTRUXSMSDCHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2/c1-7-9(12)8(14(4)13-7)5-10(2,3)6-11/h5-6H2,1-4H3.
What are the key properties of 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole?
4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole has a molecular weight of 235.16 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 66060387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).