3-(4-chlorophenyl)-5-methyl-1H-pyrazole

C10H9ClN2 — CID 606094

IUPAC3-(4-chlorophenyl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H9ClN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKeyUEOSSIMPKPNOEJ-UHFFFAOYSA-N
MW192.65 g/mol
LogP3.04
Rot. Bonds1

About 3-(4-chlorophenyl)-5-methyl-1H-pyrazole

3-(4-chlorophenyl)-5-methyl-1H-pyrazole (PubChem CID 606094) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-1H-pyrazole
PubChem CID606094
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name3-(4-chlorophenyl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H9ClN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKeyUEOSSIMPKPNOEJ-UHFFFAOYSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-1H-pyrazole (CID 606094) is 3-(4-chlorophenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-1H-pyrazole is Cc1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-1H-pyrazole?
The InChIKey is UEOSSIMPKPNOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13).
What are the key properties of 3-(4-chlorophenyl)-5-methyl-1H-pyrazole?
3-(4-chlorophenyl)-5-methyl-1H-pyrazole has a molecular weight of 192.65 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 606094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).