9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline

C18H17N5 — CID 159584780

IUPAC9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline
SMILESCc1[nH]ncc1-c1cc(C2CCC2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C18H17N5/c1-10-13(8-19-22-10)17-7-12(11-3-2-4-11)18-14-9-20-23-15(14)5-6-16(18)21-17/h5-9,11H,2-4H2,1H3,(H,19,22)(H,20,23)
InChIKeyNSOKXANWNVSKFO-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.08
Rot. Bonds2

About 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline

9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline (PubChem CID 159584780) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline.

Molecular Properties

Compound Name9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline
PubChem CID159584780
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline
SMILESCc1[nH]ncc1-c1cc(C2CCC2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C18H17N5/c1-10-13(8-19-22-10)17-7-12(11-3-2-4-11)18-14-9-20-23-15(14)5-6-16(18)21-17/h5-9,11H,2-4H2,1H3,(H,19,22)(H,20,23)
InChIKeyNSOKXANWNVSKFO-UHFFFAOYSA-N
XLogP4.08
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 155619047
7-(5-methyl-1H-pyrazol-4-yl)-9-propan-2-yl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 161468389
9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
CID 155151602
9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
CID 164609817
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazol-5-amine
CID 39220123
N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine
CID 155151708
5-cyclopropyl-3,6-dimethyl-2H-indazole
CID 177150183
7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 158744167
6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine
CID 171714525
azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
CID 158905146
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 150584799
7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;molecular hydrogen;sulfane
CID 163452708

Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline?
The IUPAC name of 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline (CID 159584780) is 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline.
What is the SMILES notation for 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline?
The canonical SMILES for 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline is Cc1[nH]ncc1-c1cc(C2CCC2)c2c(ccc3[nH]ncc32)n1.
What is the InChIKey of 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline?
The InChIKey is NSOKXANWNVSKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-10-13(8-19-22-10)17-7-12(11-3-2-4-11)18-14-9-20-23-15(14)5-6-16(18)21-17/h5-9,11H,2-4H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline?
9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline has a molecular weight of 303.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline is sourced from PubChem (CID 159584780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).