4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole

C11H14Cl2N4 — CID 15862197

IUPAC4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cn2nc(C)c(Cl)c2C)c(C)c1Cl
InChIInChI=1S/C11H14Cl2N4/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5H2,1-4H3
InChIKeyJODMEQXLSFJLED-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.13
Rot. Bonds2

About 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole

4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole (PubChem CID 15862197) has the molecular formula C11H14Cl2N4 and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
PubChem CID15862197
Molecular FormulaC11H14Cl2N4
Molecular Weight273.17 g/mol
Exact Mass272.06
IUPAC Name4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cn2nc(C)c(Cl)c2C)c(C)c1Cl
InChIInChI=1S/C11H14Cl2N4/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5H2,1-4H3
InChIKeyJODMEQXLSFJLED-UHFFFAOYSA-N
XLogP3.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole (CID 15862197) is 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole is Cc1nn(Cn2nc(C)c(Cl)c2C)c(C)c1Cl.
What is the InChIKey of 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The InChIKey is JODMEQXLSFJLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5H2,1-4H3.
What are the key properties of 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole has a molecular weight of 273.17 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 15862197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).