3,4-dichloro-1-methyl-5-propan-2-ylpyrazole

C7H10Cl2N2 — CID 20712563

IUPAC3,4-dichloro-1-methyl-5-propan-2-ylpyrazole
SMILESCC(C)c1c(Cl)c(Cl)nn1C
InChIInChI=1S/C7H10Cl2N2/c1-4(2)6-5(8)7(9)10-11(6)3/h4H,1-3H3
InChIKeyPLVUHEOAWCZPJW-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.85
Rot. Bonds1

About 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole

3,4-dichloro-1-methyl-5-propan-2-ylpyrazole (PubChem CID 20712563) has the molecular formula C7H10Cl2N2 and a molecular weight of 193.08 g/mol. Its IUPAC name is 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,4-dichloro-1-methyl-5-propan-2-ylpyrazole
PubChem CID20712563
Molecular FormulaC7H10Cl2N2
Molecular Weight193.08 g/mol
Exact Mass192.02
IUPAC Name3,4-dichloro-1-methyl-5-propan-2-ylpyrazole
SMILESCC(C)c1c(Cl)c(Cl)nn1C
InChIInChI=1S/C7H10Cl2N2/c1-4(2)6-5(8)7(9)10-11(6)3/h4H,1-3H3
InChIKeyPLVUHEOAWCZPJW-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole?
The IUPAC name of 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole (CID 20712563) is 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole.
What is the SMILES notation for 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole?
The canonical SMILES for 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole is CC(C)c1c(Cl)c(Cl)nn1C.
What is the InChIKey of 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole?
The InChIKey is PLVUHEOAWCZPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2/c1-4(2)6-5(8)7(9)10-11(6)3/h4H,1-3H3.
What are the key properties of 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole?
3,4-dichloro-1-methyl-5-propan-2-ylpyrazole has a molecular weight of 193.08 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-methyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 20712563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).