N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C9H7N7OS — CID 61393787

IUPACN-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1sccc1-n1cnnn1
InChIInChI=1S/C9H7N7OS/c17-9(12-7-1-3-10-13-7)8-6(2-4-18-8)16-5-11-14-15-16/h1-5H,(H2,10,12,13,17)
InChIKeyJHJPEMZPQUBVLJ-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.70
Rot. Bonds3

About N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 61393787) has the molecular formula C9H7N7OS and a molecular weight of 261.27 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID61393787
Molecular FormulaC9H7N7OS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC NameN-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1sccc1-n1cnnn1
InChIInChI=1S/C9H7N7OS/c17-9(12-7-1-3-10-13-7)8-6(2-4-18-8)16-5-11-14-15-16/h1-5H,(H2,10,12,13,17)
InChIKeyJHJPEMZPQUBVLJ-UHFFFAOYSA-N
XLogP0.70
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 61393787) is N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(Nc1ccn[nH]1)c1sccc1-n1cnnn1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is JHJPEMZPQUBVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N7OS/c17-9(12-7-1-3-10-13-7)8-6(2-4-18-8)16-5-11-14-15-16/h1-5H,(H2,10,12,13,17).
What are the key properties of N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 261.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61393787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).