1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole

C15H19ClN2 — CID 160742937

IUPAC1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole
SMILESCCc1cc(C)n(-c2ccc(C(C)C)cc2Cl)n1
InChIInChI=1S/C15H19ClN2/c1-5-13-8-11(4)18(17-13)15-7-6-12(10(2)3)9-14(15)16/h6-10H,5H2,1-4H3
InChIKeyLEGMWASNANOQEM-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.52
Rot. Bonds3

About 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole

1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole (PubChem CID 160742937) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole.

Molecular Properties

Compound Name1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole
PubChem CID160742937
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole
SMILESCCc1cc(C)n(-c2ccc(C(C)C)cc2Cl)n1
InChIInChI=1S/C15H19ClN2/c1-5-13-8-11(4)18(17-13)15-7-6-12(10(2)3)9-14(15)16/h6-10H,5H2,1-4H3
InChIKeyLEGMWASNANOQEM-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole?
The IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole (CID 160742937) is 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole.
What is the SMILES notation for 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole?
The canonical SMILES for 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole is CCc1cc(C)n(-c2ccc(C(C)C)cc2Cl)n1.
What is the InChIKey of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole?
The InChIKey is LEGMWASNANOQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-5-13-8-11(4)18(17-13)15-7-6-12(10(2)3)9-14(15)16/h6-10H,5H2,1-4H3.
What are the key properties of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole?
1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole has a molecular weight of 262.78 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole is sourced from PubChem (CID 160742937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).