3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine

C18H21N3O2 — CID 71448706

IUPAC3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
SMILESCCCCc1[nH]nc2ccnc(-c3ccc(OC)c(OC)c3)c12
InChIInChI=1S/C18H21N3O2/c1-4-5-6-13-17-14(21-20-13)9-10-19-18(17)12-7-8-15(22-2)16(11-12)23-3/h7-11H,4-6H2,1-3H3,(H,20,21)
InChIKeyGRLBWGNRNCEPKP-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.98
Rot. Bonds6

About 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine

3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine (PubChem CID 71448706) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
PubChem CID71448706
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
SMILESCCCCc1[nH]nc2ccnc(-c3ccc(OC)c(OC)c3)c12
InChIInChI=1S/C18H21N3O2/c1-4-5-6-13-17-14(21-20-13)9-10-19-18(17)12-7-8-15(22-2)16(11-12)23-3/h7-11H,4-6H2,1-3H3,(H,20,21)
InChIKeyGRLBWGNRNCEPKP-UHFFFAOYSA-N
XLogP3.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine (CID 71448706) is 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine is CCCCc1[nH]nc2ccnc(-c3ccc(OC)c(OC)c3)c12.
What is the InChIKey of 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is GRLBWGNRNCEPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-5-6-13-17-14(21-20-13)9-10-19-18(17)12-7-8-15(22-2)16(11-12)23-3/h7-11H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine?
3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 311.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 71448706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).