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

C20H17BrN8S — CID 19975950

IUPACN-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2ccc(-c3c(-c4nn[nH]n4)csc3Br)cc2)n2nccc2n1
InChIInChI=1S/C20H17BrN8S/c1-2-14-9-17(29-16(24-14)7-8-23-29)22-10-12-3-5-13(6-4-12)18-15(11-30-19(18)21)20-25-27-28-26-20/h3-9,11,22H,2,10H2,1H3,(H,25,26,27,28)
InChIKeyVOXNAGRDDIQOHR-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.57
Rot. Bonds6

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

N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 19975950) has the molecular formula C20H17BrN8S and a molecular weight of 481.38 g/mol. Its IUPAC name is N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID19975950
Molecular FormulaC20H17BrN8S
Molecular Weight481.38 g/mol
Exact Mass480.05
IUPAC NameN-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2ccc(-c3c(-c4nn[nH]n4)csc3Br)cc2)n2nccc2n1
InChIInChI=1S/C20H17BrN8S/c1-2-14-9-17(29-16(24-14)7-8-23-29)22-10-12-3-5-13(6-4-12)18-15(11-30-19(18)21)20-25-27-28-26-20/h3-9,11,22H,2,10H2,1H3,(H,25,26,27,28)
InChIKeyVOXNAGRDDIQOHR-UHFFFAOYSA-N
XLogP4.57
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-bromo-N-(pyridin-3-ylmethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10475216
5-(Piperidin-3-yl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224363
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224366
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224565
N-(1-ethylpyrazol-3-yl)-8-methyl-9-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68060147
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-methyl-9-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 56602723
N-cyclopentyl-1-methyl-3-[3-[(2-thiophen-2-ylethylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 44528299
2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 46948497
2,5-dimethyl-3-phenyl-N-(2-thienylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193204
5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122193381
3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475788

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 19975950) is N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2ccc(-c3c(-c4nn[nH]n4)csc3Br)cc2)n2nccc2n1.
What is the InChIKey of N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VOXNAGRDDIQOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN8S/c1-2-14-9-17(29-16(24-14)7-8-23-29)22-10-12-3-5-13(6-4-12)18-15(11-30-19(18)21)20-25-27-28-26-20/h3-9,11,22H,2,10H2,1H3,(H,25,26,27,28).
What are the key properties of N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 481.38 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-bromo-4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 19975950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).