2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole

C13H12BrClN2 — CID 66014304

IUPAC2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESClc1c2c(nn1Cc1ccc(Br)cc1)CCC2
InChIInChI=1S/C13H12BrClN2/c14-10-6-4-9(5-7-10)8-17-13(15)11-2-1-3-12(11)16-17/h4-7H,1-3,8H2
InChIKeyNQPWVNMTMBMFOM-UHFFFAOYSA-N
MW311.61 g/mol
LogP3.84
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole

2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 66014304) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID66014304
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESClc1c2c(nn1Cc1ccc(Br)cc1)CCC2
InChIInChI=1S/C13H12BrClN2/c14-10-6-4-9(5-7-10)8-17-13(15)11-2-1-3-12(11)16-17/h4-7H,1-3,8H2
InChIKeyNQPWVNMTMBMFOM-UHFFFAOYSA-N
XLogP3.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 66014304) is 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole is Clc1c2c(nn1Cc1ccc(Br)cc1)CCC2.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is NQPWVNMTMBMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c14-10-6-4-9(5-7-10)8-17-13(15)11-2-1-3-12(11)16-17/h4-7H,1-3,8H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 311.61 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 66014304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).