3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C18H24ClN3O2 — CID 110535854

IUPAC3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCCOc1cc(-c2n[nH]c3c2CNCC3)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H24ClN3O2/c1-4-23-16-8-12(7-14(19)18(16)24-10-11(2)3)17-13-9-20-6-5-15(13)21-22-17/h7-8,11,20H,4-6,9-10H2,1-3H3,(H,21,22)
InChIKeySDOOZDZCSRZTCT-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.81
Rot. Bonds6

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

3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 110535854) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID110535854
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCCOc1cc(-c2n[nH]c3c2CNCC3)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H24ClN3O2/c1-4-23-16-8-12(7-14(19)18(16)24-10-11(2)3)17-13-9-20-6-5-15(13)21-22-17/h7-8,11,20H,4-6,9-10H2,1-3H3,(H,21,22)
InChIKeySDOOZDZCSRZTCT-UHFFFAOYSA-N
XLogP3.81
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534835
3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110537326
5-benzyl-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110532576
2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534204
3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 82301056
3-(2,4-diethoxy-5-nitrophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110536982
methyl 3-chloro-5-ethoxy-4-(2-methylpropoxy)benzoate
CID 83952664
3-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,4,5-triazatricyclo[5.2.2.02,6]undeca-2(6),3-diene
CID 110534662
5-(3-chloro-4-ethoxy-5-methoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110531335
3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538216
4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 57461655
5-(3,5-dichloro-4-ethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110531145

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 110535854) is 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is CCOc1cc(-c2n[nH]c3c2CNCC3)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is SDOOZDZCSRZTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-4-23-16-8-12(7-14(19)18(16)24-10-11(2)3)17-13-9-20-6-5-15(13)21-22-17/h7-8,11,20H,4-6,9-10H2,1-3H3,(H,21,22).
What are the key properties of 3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 349.86 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 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]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110535854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).