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

C17H18N6O — CID 157128546

IUPAC1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol
SMILESCCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H18N6O/c1-2-11(24)8-23-9-13-16(22-23)12-4-3-10(14-5-6-19-21-14)7-15(12)20-17(13)18/h3-7,9,11,24H,2,8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyLZIZICAQFLZAAE-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.33
Rot. Bonds4

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

1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol (PubChem CID 157128546) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol
PubChem CID157128546
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol
SMILESCCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H18N6O/c1-2-11(24)8-23-9-13-16(22-23)12-4-3-10(14-5-6-19-21-14)7-15(12)20-17(13)18/h3-7,9,11,24H,2,8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyLZIZICAQFLZAAE-UHFFFAOYSA-N
XLogP2.33
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol?
The IUPAC name of 1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol (CID 157128546) is 1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol?
The canonical SMILES for 1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol is CCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of 1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol?
The InChIKey is LZIZICAQFLZAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-2-11(24)8-23-9-13-16(22-23)12-4-3-10(14-5-6-19-21-14)7-15(12)20-17(13)18/h3-7,9,11,24H,2,8H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol?
1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol has a molecular weight of 322.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol is sourced from PubChem (CID 157128546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).