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

C16H19N5S — CID 133283221

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCCc1ccc(CNc2cncc(-n3nc(C)cc3C)n2)s1
InChIInChI=1S/C16H19N5S/c1-4-13-5-6-14(22-13)8-18-15-9-17-10-16(19-15)21-12(3)7-11(2)20-21/h5-7,9-10H,4,8H2,1-3H3,(H,18,19)
InChIKeyIKRQJXHNJZAWAV-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.52
Rot. Bonds5

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

6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine (PubChem CID 133283221) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
PubChem CID133283221
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCCc1ccc(CNc2cncc(-n3nc(C)cc3C)n2)s1
InChIInChI=1S/C16H19N5S/c1-4-13-5-6-14(22-13)8-18-15-9-17-10-16(19-15)21-12(3)7-11(2)20-21/h5-7,9-10H,4,8H2,1-3H3,(H,18,19)
InChIKeyIKRQJXHNJZAWAV-UHFFFAOYSA-N
XLogP3.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
CID 133285009
2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 106015202
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
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
N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284460
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-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrazin-2-amine
CID 133284960
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyrazin-2-amine
CID 133283698
N-[2-(3,4-difluorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133291797

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine (CID 133283221) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine is CCc1ccc(CNc2cncc(-n3nc(C)cc3C)n2)s1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine?
The InChIKey is IKRQJXHNJZAWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-4-13-5-6-14(22-13)8-18-15-9-17-10-16(19-15)21-12(3)7-11(2)20-21/h5-7,9-10H,4,8H2,1-3H3,(H,18,19).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine has a molecular weight of 313.43 g/mol, XLogP of 3.52, 5 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-ethylthiophen-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133283221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).