4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine

C19H15ClN4S — CID 16729533

IUPAC4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccccc1Cn1ncc2c(SCc3ccccc3)ncnc21
InChIInChI=1S/C19H15ClN4S/c20-17-9-5-4-8-15(17)11-24-18-16(10-23-24)19(22-13-21-18)25-12-14-6-2-1-3-7-14/h1-10,13H,11-12H2
InChIKeyWSMLMPRQKOYTPV-UHFFFAOYSA-N
MW366.88 g/mol
LogP4.82
Rot. Bonds5

About 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine

4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 16729533) has the molecular formula C19H15ClN4S and a molecular weight of 366.88 g/mol. Its IUPAC name is 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
PubChem CID16729533
Molecular FormulaC19H15ClN4S
Molecular Weight366.88 g/mol
Exact Mass366.07
IUPAC Name4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccccc1Cn1ncc2c(SCc3ccccc3)ncnc21
InChIInChI=1S/C19H15ClN4S/c20-17-9-5-4-8-15(17)11-24-18-16(10-23-24)19(22-13-21-18)25-12-14-6-2-1-3-7-14/h1-10,13H,11-12H2
InChIKeyWSMLMPRQKOYTPV-UHFFFAOYSA-N
XLogP4.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 2044932
1-(4-chlorobenzyl)-4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 929952
1-(4-chlorobenzyl)-N,N-diethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 895460
4-Isopropylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 864540
1-(2-chlorobenzyl)-N-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8072246
1-(2-chlorobenzyl)-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8072452
2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N,N-diethylacetamide
CID 665455
4-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]methyl}benzonitrile
CID 665854
4-Benzylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 864620
1-Benzyl-4-(4-methyl-benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 2045154
1-(Phenylmethyl)-4-(phenylmethylthio)pyrazolo[3,4-d]pyrimidine
CID 3842823
4-(4-Methyl-benzylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 3844442

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine (CID 16729533) is 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine is Clc1ccccc1Cn1ncc2c(SCc3ccccc3)ncnc21.
What is the InChIKey of 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is WSMLMPRQKOYTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4S/c20-17-9-5-4-8-15(17)11-24-18-16(10-23-24)19(22-13-21-18)25-12-14-6-2-1-3-7-14/h1-10,13H,11-12H2.
What are the key properties of 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 366.88 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16729533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).