2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine

C17H19N7 — CID 159577972

IUPAC2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESCN(C)CCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H19N7/c1-23(2)7-8-24-10-13-16(22-24)12-4-3-11(14-5-6-19-21-14)9-15(12)20-17(13)18/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyMIQMHWYFBMABBF-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.12
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine

2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (PubChem CID 159577972) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
PubChem CID159577972
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESCN(C)CCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H19N7/c1-23(2)7-8-24-10-13-16(22-24)12-4-3-11(14-5-6-19-21-14)9-15(12)20-17(13)18/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyMIQMHWYFBMABBF-UHFFFAOYSA-N
XLogP2.12
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (CID 159577972) is 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is CN(C)CCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The InChIKey is MIQMHWYFBMABBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-23(2)7-8-24-10-13-16(22-24)12-4-3-11(14-5-6-19-21-14)9-15(12)20-17(13)18/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine has a molecular weight of 321.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is sourced from PubChem (CID 159577972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).