2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole

C10H15ClN2 — CID 66021190

IUPAC2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCCCCn1nc2c(c1Cl)CCC2
InChIInChI=1S/C10H15ClN2/c1-2-3-7-13-10(11)8-5-4-6-9(8)12-13/h2-7H2,1H3
InChIKeyJFVWPPYAVBKFSV-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.83
Rot. Bonds3

About 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole

2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 66021190) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID66021190
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCCCCn1nc2c(c1Cl)CCC2
InChIInChI=1S/C10H15ClN2/c1-2-3-7-13-10(11)8-5-4-6-9(8)12-13/h2-7H2,1H3
InChIKeyJFVWPPYAVBKFSV-UHFFFAOYSA-N
XLogP2.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 66021190) is 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole is CCCCn1nc2c(c1Cl)CCC2.
What is the InChIKey of 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is JFVWPPYAVBKFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-2-3-7-13-10(11)8-5-4-6-9(8)12-13/h2-7H2,1H3.
What are the key properties of 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 198.70 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 66021190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).