2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole

C10H11ClN2 — CID 102406826

IUPAC2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccccc2Cl)CC1
InChIInChI=1S/C10H11ClN2/c1-8-6-7-13(12-8)10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3
InChIKeyMXGNBXAOVWEXFF-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.93
Rot. Bonds1

About 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole

2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole (PubChem CID 102406826) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole
PubChem CID102406826
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccccc2Cl)CC1
InChIInChI=1S/C10H11ClN2/c1-8-6-7-13(12-8)10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3
InChIKeyMXGNBXAOVWEXFF-UHFFFAOYSA-N
XLogP2.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole (CID 102406826) is 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole is CC1=NN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole?
The InChIKey is MXGNBXAOVWEXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-8-6-7-13(12-8)10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole?
2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole has a molecular weight of 194.66 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 102406826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).