3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H26ClN3O2 — CID 110534835

IUPAC3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCOc1cc(-c2n[nH]c3c2CN(C)CC3)cc(Cl)c1OCC(C)C
InChIInChI=1S/C19H26ClN3O2/c1-5-24-17-9-13(8-15(20)19(17)25-11-12(2)3)18-14-10-23(4)7-6-16(14)21-22-18/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,22)
InChIKeyNSVYAKZWCTVPIT-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.15
Rot. Bonds6

About 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110534835) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110534835
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCOc1cc(-c2n[nH]c3c2CN(C)CC3)cc(Cl)c1OCC(C)C
InChIInChI=1S/C19H26ClN3O2/c1-5-24-17-9-13(8-15(20)19(17)25-11-12(2)3)18-14-10-23(4)7-6-16(14)21-22-18/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,22)
InChIKeyNSVYAKZWCTVPIT-UHFFFAOYSA-N
XLogP4.15
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110534835) is 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCOc1cc(-c2n[nH]c3c2CN(C)CC3)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is NSVYAKZWCTVPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-5-24-17-9-13(8-15(20)19(17)25-11-12(2)3)18-14-10-23(4)7-6-16(14)21-22-18/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,22).
What are the key properties of 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 363.89 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110534835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).