2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol

C18H20N6O — CID 157128548

IUPAC2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol
SMILESCCC(CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C18H20N6O/c1-2-11(10-25)8-24-9-14-17(23-24)13-4-3-12(15-5-6-20-22-15)7-16(13)21-18(14)19/h3-7,9,11,25H,2,8,10H2,1H3,(H2,19,21)(H,20,22)
InChIKeyGGYMMFGLQKQOBH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.58
Rot. Bonds5

About 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol

2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol (PubChem CID 157128548) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol
PubChem CID157128548
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol
SMILESCCC(CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C18H20N6O/c1-2-11(10-25)8-24-9-14-17(23-24)13-4-3-12(15-5-6-20-22-15)7-16(13)21-18(14)19/h3-7,9,11,25H,2,8,10H2,1H3,(H2,19,21)(H,20,22)
InChIKeyGGYMMFGLQKQOBH-UHFFFAOYSA-N
XLogP2.58
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol?
The IUPAC name of 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol (CID 157128548) is 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol.
What is the SMILES notation for 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol?
The canonical SMILES for 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol is CCC(CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol?
The InChIKey is GGYMMFGLQKQOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-11(10-25)8-24-9-14-17(23-24)13-4-3-12(15-5-6-20-22-15)7-16(13)21-18(14)19/h3-7,9,11,25H,2,8,10H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol?
2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol has a molecular weight of 336.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol is sourced from PubChem (CID 157128548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).