4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine

C13H17N3O — CID 46898099

IUPAC4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(OC3CCCCC3)c12
InChIInChI=1S/C13H17N3O/c1-9-12-11(16-15-9)7-8-14-13(12)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeySZWNAVSPEUVUHU-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.98
Rot. Bonds2

About 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine

4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine (PubChem CID 46898099) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine
PubChem CID46898099
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(OC3CCCCC3)c12
InChIInChI=1S/C13H17N3O/c1-9-12-11(16-15-9)7-8-14-13(12)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeySZWNAVSPEUVUHU-UHFFFAOYSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine (CID 46898099) is 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine is Cc1[nH]nc2ccnc(OC3CCCCC3)c12.
What is the InChIKey of 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is SZWNAVSPEUVUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-12-11(16-15-9)7-8-14-13(12)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine?
4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 231.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 46898099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).