4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine

C19H14ClN3S — CID 27372809

IUPAC4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
SMILESClc1ccccc1CSc1nccn2nc(-c3ccccc3)cc12
InChIInChI=1S/C19H14ClN3S/c20-16-9-5-4-8-15(16)13-24-19-18-12-17(14-6-2-1-3-7-14)22-23(18)11-10-21-19/h1-12H,13H2
InChIKeyBBMHNUXFYHYUKK-UHFFFAOYSA-N
MW351.86 g/mol
LogP5.34
Rot. Bonds4

About 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine

4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine (PubChem CID 27372809) has the molecular formula C19H14ClN3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
PubChem CID27372809
Molecular FormulaC19H14ClN3S
Molecular Weight351.86 g/mol
Exact Mass351.06
IUPAC Name4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
SMILESClc1ccccc1CSc1nccn2nc(-c3ccccc3)cc12
InChIInChI=1S/C19H14ClN3S/c20-16-9-5-4-8-15(16)13-24-19-18-12-17(14-6-2-1-3-7-14)22-23(18)11-10-21-19/h1-12H,13H2
InChIKeyBBMHNUXFYHYUKK-UHFFFAOYSA-N
XLogP5.34
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498876
4-[(4-bromophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
CID 27372817
2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498350
2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 27372818
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27564776
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
2-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498918
3-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazine
CID 2963013
N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27444905
2-[2-(3-chloro-4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetonitrile
CID 30849887
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclohexylacetamide
CID 27549502
N-(2,5-dimethoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27441032

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine (CID 27372809) is 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine is Clc1ccccc1CSc1nccn2nc(-c3ccccc3)cc12.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine?
The InChIKey is BBMHNUXFYHYUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3S/c20-16-9-5-4-8-15(16)13-24-19-18-12-17(14-6-2-1-3-7-14)22-23(18)11-10-21-19/h1-12H,13H2.
What are the key properties of 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine?
4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine has a molecular weight of 351.86 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 27372809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).