5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H16N8O — CID 56986157

IUPAC5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(-c3cocc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C19H16N8O/c1-12-8-18(27-17(22-12)6-7-21-27)20-9-13-2-4-14(5-3-13)15-10-28-11-16(15)19-23-25-26-24-19/h2-8,10-11,20H,9H2,1H3,(H,23,24,25,26)
InChIKeyUGNGNIJLVLRPOQ-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.09
Rot. Bonds5

About 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56986157) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56986157
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(-c3cocc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C19H16N8O/c1-12-8-18(27-17(22-12)6-7-21-27)20-9-13-2-4-14(5-3-13)15-10-28-11-16(15)19-23-25-26-24-19/h2-8,10-11,20H,9H2,1H3,(H,23,24,25,26)
InChIKeyUGNGNIJLVLRPOQ-UHFFFAOYSA-N
XLogP3.09
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56986157) is 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccc(-c3cocc3-c3nn[nH]n3)cc2)n2nccc2n1.
What is the InChIKey of 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UGNGNIJLVLRPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c1-12-8-18(27-17(22-12)6-7-21-27)20-9-13-2-4-14(5-3-13)15-10-28-11-16(15)19-23-25-26-24-19/h2-8,10-11,20H,9H2,1H3,(H,23,24,25,26).
What are the key properties of 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 372.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56986157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).