N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C14H16N4S — CID 104918883

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCc1ccc(CNc2nccn3nc(C)cc23)s1
InChIInChI=1S/C14H16N4S/c1-3-11-4-5-12(19-11)9-16-14-13-8-10(2)17-18(13)7-6-15-14/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyZVETUUSKPUNLFC-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.27
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104918883) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104918883
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCc1ccc(CNc2nccn3nc(C)cc23)s1
InChIInChI=1S/C14H16N4S/c1-3-11-4-5-12(19-11)9-16-14-13-8-10(2)17-18(13)7-6-15-14/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyZVETUUSKPUNLFC-UHFFFAOYSA-N
XLogP3.27
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730975
N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 107233154
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731292
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731375
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133489559
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
CID 104730788
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
CID 104729300
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
CID 104729690
3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 106013481
N-(2-butoxyethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446302
N-(1H-imidazol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731753

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 104918883) is N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is CCc1ccc(CNc2nccn3nc(C)cc23)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ZVETUUSKPUNLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-3-11-4-5-12(19-11)9-16-14-13-8-10(2)17-18(13)7-6-15-14/h4-8H,3,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 272.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104918883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).