4-chloro-1-methyl-3-(2-methylbutyl)pyrazole

C9H15ClN2 — CID 88999147

IUPAC4-chloro-1-methyl-3-(2-methylbutyl)pyrazole
SMILESCCC(C)Cc1nn(C)cc1Cl
InChIInChI=1S/C9H15ClN2/c1-4-7(2)5-9-8(10)6-12(3)11-9/h6-7H,4-5H2,1-3H3
InChIKeyYIUMVUHBDSBHPE-UHFFFAOYSA-N
MW186.69 g/mol
LogP2.66
Rot. Bonds3

About 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole

4-chloro-1-methyl-3-(2-methylbutyl)pyrazole (PubChem CID 88999147) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-methyl-3-(2-methylbutyl)pyrazole
PubChem CID88999147
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name4-chloro-1-methyl-3-(2-methylbutyl)pyrazole
SMILESCCC(C)Cc1nn(C)cc1Cl
InChIInChI=1S/C9H15ClN2/c1-4-7(2)5-9-8(10)6-12(3)11-9/h6-7H,4-5H2,1-3H3
InChIKeyYIUMVUHBDSBHPE-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole?
The IUPAC name of 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole (CID 88999147) is 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole.
What is the SMILES notation for 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole?
The canonical SMILES for 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole is CCC(C)Cc1nn(C)cc1Cl.
What is the InChIKey of 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole?
The InChIKey is YIUMVUHBDSBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2/c1-4-7(2)5-9-8(10)6-12(3)11-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole?
4-chloro-1-methyl-3-(2-methylbutyl)pyrazole has a molecular weight of 186.69 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-(2-methylbutyl)pyrazole is sourced from PubChem (CID 88999147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).