4-(2-chlorophenyl)-5-methyl-1H-pyrazole

C10H9ClN2 — CID 2805460

IUPAC4-(2-chlorophenyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2/c1-7-9(6-12-13-7)8-4-2-3-5-10(8)11/h2-6H,1H3,(H,12,13)
InChIKeyCOMPGPWYKZNXNH-UHFFFAOYSA-N
MW192.65 g/mol
LogP3.04
Rot. Bonds1

About 4-(2-chlorophenyl)-5-methyl-1H-pyrazole

4-(2-chlorophenyl)-5-methyl-1H-pyrazole (PubChem CID 2805460) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-methyl-1H-pyrazole
PubChem CID2805460
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name4-(2-chlorophenyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2/c1-7-9(6-12-13-7)8-4-2-3-5-10(8)11/h2-6H,1H3,(H,12,13)
InChIKeyCOMPGPWYKZNXNH-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 4-(2-chlorophenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-(2-chlorophenyl)-5-methyl-1H-pyrazole (CID 2805460) is 4-(2-chlorophenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-(2-chlorophenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-(2-chlorophenyl)-5-methyl-1H-pyrazole is Cc1[nH]ncc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-methyl-1H-pyrazole?
The InChIKey is COMPGPWYKZNXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-7-9(6-12-13-7)8-4-2-3-5-10(8)11/h2-6H,1H3,(H,12,13).
What are the key properties of 4-(2-chlorophenyl)-5-methyl-1H-pyrazole?
4-(2-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 4-(2-chlorophenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 2805460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).