6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine

C14H20ClN3O — CID 123154502

IUPAC6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine
SMILESCc1c(Cl)nc(OC2CCCCC2)c2c1NNC2C
InChIInChI=1S/C14H20ClN3O/c1-8-12-11(9(2)17-18-12)14(16-13(8)15)19-10-6-4-3-5-7-10/h9-10,17-18H,3-7H2,1-2H3
InChIKeyMFXUSUAWTMWICT-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.75
Rot. Bonds2

About 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine

6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 123154502) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID123154502
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine
SMILESCc1c(Cl)nc(OC2CCCCC2)c2c1NNC2C
InChIInChI=1S/C14H20ClN3O/c1-8-12-11(9(2)17-18-12)14(16-13(8)15)19-10-6-4-3-5-7-10/h9-10,17-18H,3-7H2,1-2H3
InChIKeyMFXUSUAWTMWICT-UHFFFAOYSA-N
XLogP3.75
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine (CID 123154502) is 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine is Cc1c(Cl)nc(OC2CCCCC2)c2c1NNC2C.
What is the InChIKey of 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is MFXUSUAWTMWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-8-12-11(9(2)17-18-12)14(16-13(8)15)19-10-6-4-3-5-7-10/h9-10,17-18H,3-7H2,1-2H3.
What are the key properties of 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine?
6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 281.79 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyclohexyloxy-3,7-dimethyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 123154502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).