N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide

C12H8N8OS — CID 56784145

IUPACN-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)c1sccc1-n1cnnn1
InChIInChI=1S/C12H8N8OS/c21-12(11-8(3-6-22-11)19-7-14-17-18-19)16-10-1-4-13-9-2-5-15-20(9)10/h1-7H,(H,16,21)
InChIKeyWVXPQCNDNPWWON-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.02
Rot. Bonds3

About N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 56784145) has the molecular formula C12H8N8OS and a molecular weight of 312.32 g/mol. Its IUPAC name is N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID56784145
Molecular FormulaC12H8N8OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC NameN-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)c1sccc1-n1cnnn1
InChIInChI=1S/C12H8N8OS/c21-12(11-8(3-6-22-11)19-7-14-17-18-19)16-10-1-4-13-9-2-5-15-20(9)10/h1-7H,(H,16,21)
InChIKeyWVXPQCNDNPWWON-UHFFFAOYSA-N
XLogP1.02
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-pyrazolo[1,5-a]pyrimidin-7-ylthiophene-3-carboxamide
CID 146121640
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 78928244
5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 43474473
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 87008522
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 86858047
N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62520559
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 51092429

Frequently Asked Questions

What is the IUPAC name of N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 56784145) is N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(Nc1ccnc2ccnn12)c1sccc1-n1cnnn1.
What is the InChIKey of N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is WVXPQCNDNPWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N8OS/c21-12(11-8(3-6-22-11)19-7-14-17-18-19)16-10-1-4-13-9-2-5-15-20(9)10/h1-7H,(H,16,21).
What are the key properties of N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazolo[1,5-a]pyrimidin-7-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 56784145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).