4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride

C12H11Cl3N2 — CID 71114893

IUPAC4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride
SMILESCl.Clc1ccc(C2CCc3[nH]ncc32)cc1Cl
InChIInChI=1S/C12H10Cl2N2.ClH/c13-10-3-1-7(5-11(10)14)8-2-4-12-9(8)6-15-16-12;/h1,3,5-6,8H,2,4H2,(H,15,16);1H
InChIKeyZWNCFPMZJWAMGJ-UHFFFAOYSA-N
MW289.59 g/mol
LogP4.22
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride

4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride (PubChem CID 71114893) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride
PubChem CID71114893
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride
SMILESCl.Clc1ccc(C2CCc3[nH]ncc32)cc1Cl
InChIInChI=1S/C12H10Cl2N2.ClH/c13-10-3-1-7(5-11(10)14)8-2-4-12-9(8)6-15-16-12;/h1,3,5-6,8H,2,4H2,(H,15,16);1H
InChIKeyZWNCFPMZJWAMGJ-UHFFFAOYSA-N
XLogP4.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride?
The IUPAC name of 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride (CID 71114893) is 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride is Cl.Clc1ccc(C2CCc3[nH]ncc32)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride?
The InChIKey is ZWNCFPMZJWAMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.ClH/c13-10-3-1-7(5-11(10)14)8-2-4-12-9(8)6-15-16-12;/h1,3,5-6,8H,2,4H2,(H,15,16);1H.
What are the key properties of 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride?
4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride has a molecular weight of 289.59 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride is sourced from PubChem (CID 71114893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).