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

C12H10Cl2N2 — CID 2768851

IUPAC3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESClc1ccc(-c2n[nH]c3c2CCC3)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-9-5-4-7(6-10(9)14)12-8-2-1-3-11(8)15-16-12/h4-6H,1-3H2,(H,15,16)
InChIKeyPBRQAUPRVREONC-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.87
Rot. Bonds1

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

3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (PubChem CID 2768851) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
PubChem CID2768851
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESClc1ccc(-c2n[nH]c3c2CCC3)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-9-5-4-7(6-10(9)14)12-8-2-1-3-11(8)15-16-12/h4-6H,1-3H2,(H,15,16)
InChIKeyPBRQAUPRVREONC-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
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Zinc00434359
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3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094
[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]acetonitrile
CID 902163
3-(2,4-Dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 2768837
1,4,5,6-Tetrahydro-3-phenylcyclopentapyrazole
CID 120035
5-(3,4-dichlorophenyl)-1H-pyrazole
CID 2736075
3-(3-chlorophenyl)-5-phenyl-1H-pyrazole
CID 290613
5-(4-Chlorophenyl)-1H-pyrazole-3-acetonitrile
CID 11790641
4-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 61992815
3-(3,4-Dichlorophenyl)-1,4-dihydroindeno[1,2-c]pyrazole
CID 332780

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The IUPAC name of 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (CID 2768851) is 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is Clc1ccc(-c2n[nH]c3c2CCC3)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The InChIKey is PBRQAUPRVREONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-9-5-4-7(6-10(9)14)12-8-2-1-3-11(8)15-16-12/h4-6H,1-3H2,(H,15,16).
What are the key properties of 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole has a molecular weight of 253.13 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is sourced from PubChem (CID 2768851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).