5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C15H20N6S — CID 56905485

IUPAC5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCSCc2nc[nH]c2C)n2nccc2n1
InChIInChI=1S/C15H20N6S/c1-3-12-8-15(21-14(20-12)4-5-19-21)16-6-7-22-9-13-11(2)17-10-18-13/h4-5,8,10,16H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyMBBYXLOWKAZEJH-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.67
Rot. Bonds7

About 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56905485) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56905485
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCSCc2nc[nH]c2C)n2nccc2n1
InChIInChI=1S/C15H20N6S/c1-3-12-8-15(21-14(20-12)4-5-19-21)16-6-7-22-9-13-11(2)17-10-18-13/h4-5,8,10,16H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyMBBYXLOWKAZEJH-UHFFFAOYSA-N
XLogP2.67
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914218
5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890412
2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(furan-2-yl)ethanol
CID 70720346
5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70783218
5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56894585
5-chloro-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23131907
2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3H-quinazolin-4-one
CID 135709418
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 119063605
N'-(4-hydroxyphenyl)-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]oxamide
CID 45492093
2-butyl-1-hydroxy-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CID 88795028
5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 57222528

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56905485) is 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCCSCc2nc[nH]c2C)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MBBYXLOWKAZEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-3-12-8-15(21-14(20-12)4-5-19-21)16-6-7-22-9-13-11(2)17-10-18-13/h4-5,8,10,16H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 316.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56905485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).