3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine

C17H19ClN4 — CID 19930485

IUPAC3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1nc(-c2ccc(Cl)cc2)c2cnccc21
InChIInChI=1S/C17H19ClN4/c1-21(2)10-3-11-22-16-8-9-19-12-15(16)17(20-22)13-4-6-14(18)7-5-13/h4-9,12H,3,10-11H2,1-2H3
InChIKeyHSTXVADTCUWKKO-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.70
Rot. Bonds5

About 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine

3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 19930485) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID19930485
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1nc(-c2ccc(Cl)cc2)c2cnccc21
InChIInChI=1S/C17H19ClN4/c1-21(2)10-3-11-22-16-8-9-19-12-15(16)17(20-22)13-4-6-14(18)7-5-13/h4-9,12H,3,10-11H2,1-2H3
InChIKeyHSTXVADTCUWKKO-UHFFFAOYSA-N
XLogP3.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine (CID 19930485) is 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1nc(-c2ccc(Cl)cc2)c2cnccc21.
What is the InChIKey of 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is HSTXVADTCUWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-21(2)10-3-11-22-16-8-9-19-12-15(16)17(20-22)13-4-6-14(18)7-5-13/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 314.82 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 19930485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).