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

C20H18N8O — CID 57222528

IUPAC5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2ccc(-c3cocc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C20H18N8O/c1-2-15-9-19(28-18(23-15)7-8-22-28)21-10-13-3-5-14(6-4-13)16-11-29-12-17(16)20-24-26-27-25-20/h3-9,11-12,21H,2,10H2,1H3,(H,24,25,26,27)
InChIKeyHTWNDQCKXDANPJ-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.34
Rot. Bonds6

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

5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 57222528) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID57222528
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2ccc(-c3cocc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C20H18N8O/c1-2-15-9-19(28-18(23-15)7-8-22-28)21-10-13-3-5-14(6-4-13)16-11-29-12-17(16)20-24-26-27-25-20/h3-9,11-12,21H,2,10H2,1H3,(H,24,25,26,27)
InChIKeyHTWNDQCKXDANPJ-UHFFFAOYSA-N
XLogP3.34
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
2,5-diethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 57138499
N-[5-ethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 19976008
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide
CID 57119373
7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 57046645
[4-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 57303802
5-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrimidine
CID 19975849
5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70783218
5-methoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
CID 10833827
5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56911664
5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772
5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56888871

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 57222528) is 5-ethyl-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-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2ccc(-c3cocc3-c3nn[nH]n3)cc2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HTWNDQCKXDANPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c1-2-15-9-19(28-18(23-15)7-8-22-28)21-10-13-3-5-14(6-4-13)16-11-29-12-17(16)20-24-26-27-25-20/h3-9,11-12,21H,2,10H2,1H3,(H,24,25,26,27).
What are the key properties of 5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 386.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 57222528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).