3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

C17H16ClN3 — CID 82274804

IUPAC3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESClc1c2c(nc3c(Cc4ccccc4)cnn13)CCCC2
InChIInChI=1S/C17H16ClN3/c18-16-14-8-4-5-9-15(14)20-17-13(11-19-21(16)17)10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2
InChIKeyBJDTWAPYWJVMSH-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.85
Rot. Bonds2

About 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 82274804) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID82274804
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESClc1c2c(nc3c(Cc4ccccc4)cnn13)CCCC2
InChIInChI=1S/C17H16ClN3/c18-16-14-8-4-5-9-15(14)20-17-13(11-19-21(16)17)10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2
InChIKeyBJDTWAPYWJVMSH-UHFFFAOYSA-N
XLogP3.85
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274288
5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408868
3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 15285460
8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 24874297
N-[(2-chlorophenyl)methyl]-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 3447593
5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104621767
2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274855
2-chloro-10-(2-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274863
3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole
CID 66016107
3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 123668562
3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 15285472
9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274820

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 82274804) is 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is Clc1c2c(nc3c(Cc4ccccc4)cnn13)CCCC2.
What is the InChIKey of 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is BJDTWAPYWJVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-16-14-8-4-5-9-15(14)20-17-13(11-19-21(16)17)10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2.
What are the key properties of 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 297.79 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 82274804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).