6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine

C15H17N5S — CID 133283429

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCc3ccc(C)s3)n2)n1
InChIInChI=1S/C15H17N5S/c1-10-6-11(2)20(19-10)15-9-16-8-14(18-15)17-7-13-5-4-12(3)21-13/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyAUPDQVMNTGSVJK-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.26
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine (PubChem CID 133283429) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
PubChem CID133283429
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCc3ccc(C)s3)n2)n1
InChIInChI=1S/C15H17N5S/c1-10-6-11(2)20(19-10)15-9-16-8-14(18-15)17-7-13-5-4-12(3)21-13/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyAUPDQVMNTGSVJK-UHFFFAOYSA-N
XLogP3.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221
N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133283965
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
CID 78988898
4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133283395
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284649
6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 66451675
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
CID 133285009
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133426347
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyrazin-2-amine
CID 133283698
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133347496
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine (CID 133283429) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCc3ccc(C)s3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The InChIKey is AUPDQVMNTGSVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10-6-11(2)20(19-10)15-9-16-8-14(18-15)17-7-13-5-4-12(3)21-13/h4-6,8-9H,7H2,1-3H3,(H,17,18).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133283429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).