5-chloro-1-cycloheptylpyrazole

C10H15ClN2 — CID 83241860

IUPAC5-chloro-1-cycloheptylpyrazole
SMILESClc1ccnn1C1CCCCCC1
InChIInChI=1S/C10H15ClN2/c11-10-7-8-12-13(10)9-5-3-1-2-4-6-9/h7-9H,1-6H2
InChIKeyZRZDVLCMQIMCBC-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.43
Rot. Bonds1

About 5-chloro-1-cycloheptylpyrazole

5-chloro-1-cycloheptylpyrazole (PubChem CID 83241860) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 5-chloro-1-cycloheptylpyrazole.

Molecular Properties

Compound Name5-chloro-1-cycloheptylpyrazole
PubChem CID83241860
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name5-chloro-1-cycloheptylpyrazole
SMILESClc1ccnn1C1CCCCCC1
InChIInChI=1S/C10H15ClN2/c11-10-7-8-12-13(10)9-5-3-1-2-4-6-9/h7-9H,1-6H2
InChIKeyZRZDVLCMQIMCBC-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cycloheptylpyrazole?
The IUPAC name of 5-chloro-1-cycloheptylpyrazole (CID 83241860) is 5-chloro-1-cycloheptylpyrazole.
What is the SMILES notation for 5-chloro-1-cycloheptylpyrazole?
The canonical SMILES for 5-chloro-1-cycloheptylpyrazole is Clc1ccnn1C1CCCCCC1.
What is the InChIKey of 5-chloro-1-cycloheptylpyrazole?
The InChIKey is ZRZDVLCMQIMCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c11-10-7-8-12-13(10)9-5-3-1-2-4-6-9/h7-9H,1-6H2.
What are the key properties of 5-chloro-1-cycloheptylpyrazole?
5-chloro-1-cycloheptylpyrazole has a molecular weight of 198.70 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cycloheptylpyrazole is sourced from PubChem (CID 83241860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).