3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine

C14H13N5S — CID 106679198

IUPAC3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H13N5S/c15-13-14(17-8-7-16-13)20-10-11-2-4-12(5-3-11)19-9-1-6-18-19/h1-9H,10H2,(H2,15,16)
InChIKeyLRMQPOSLRMUUFZ-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.54
Rot. Bonds4

About 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine

3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106679198) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine
PubChem CID106679198
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H13N5S/c15-13-14(17-8-7-16-13)20-10-11-2-4-12(5-3-11)19-9-1-6-18-19/h1-9H,10H2,(H2,15,16)
InChIKeyLRMQPOSLRMUUFZ-UHFFFAOYSA-N
XLogP2.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine
CID 106678727
3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine
CID 106678528
5-fluoro-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]aniline
CID 43303950
4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine
CID 9381232
1-(4-prop-2-enylphenyl)pyrazole
CID 90761128
4-methyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 46641991
3-[(4-fluorophenoxy)methyl]-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 35718851
(4-pyrazol-1-ylphenyl)methyl N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 47157680
3-(4-pyrazol-1-ylphenyl)prop-2-yne-1-thiol
CID 169487281
3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106679130
bis((4-pyrazol-1-ylphenyl)methanamine);sulfuric acid
CID 163337704
1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole
CID 17449443

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine (CID 106679198) is 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is LRMQPOSLRMUUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c15-13-14(17-8-7-16-13)20-10-11-2-4-12(5-3-11)19-9-1-6-18-19/h1-9H,10H2,(H2,15,16).
What are the key properties of 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine?
3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 283.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106679198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).