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

C12H11ClN2 — CID 78012737

IUPAC4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESClc1cccc(C2CCc3[nH]ncc32)c1
InChIInChI=1S/C12H11ClN2/c13-9-3-1-2-8(6-9)10-4-5-12-11(10)7-14-15-12/h1-3,6-7,10H,4-5H2,(H,14,15)
InChIKeyWPLWEFNKFMYKKC-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.14
Rot. Bonds1

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

4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (PubChem CID 78012737) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
PubChem CID78012737
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESClc1cccc(C2CCc3[nH]ncc32)c1
InChIInChI=1S/C12H11ClN2/c13-9-3-1-2-8(6-9)10-4-5-12-11(10)7-14-15-12/h1-3,6-7,10H,4-5H2,(H,14,15)
InChIKeyWPLWEFNKFMYKKC-UHFFFAOYSA-N
XLogP3.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride
CID 71114893
4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71128963
(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386742
(1R,3R)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405683
(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405682
(3R)-3-(3-chlorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404863
(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 76969208
3-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 18675457
1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene
CID 174623974
4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
CID 126673050
1-chloro-3-cyclobutylbenzene;methane
CID 178166077
6-(3-chlorophenyl)piperidine-2,5-dione
CID 22106591

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The IUPAC name of 4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (CID 78012737) is 4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
What is the SMILES notation for 4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The canonical SMILES for 4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is Clc1cccc(C2CCc3[nH]ncc32)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The InChIKey is WPLWEFNKFMYKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-9-3-1-2-8(6-9)10-4-5-12-11(10)7-14-15-12/h1-3,6-7,10H,4-5H2,(H,14,15).
What are the key properties of 4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole has a molecular weight of 218.69 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is sourced from PubChem (CID 78012737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).