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

C10H9N7OS — CID 55261752

IUPACN-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2-n2cnnn2)n[nH]1
InChIInChI=1S/C10H9N7OS/c1-6-4-8(14-13-6)12-10(18)9-7(2-3-19-9)17-5-11-15-16-17/h2-5H,1H3,(H2,12,13,14,18)
InChIKeyIWCUETUYLICCKC-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.01
Rot. Bonds3

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

N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 55261752) has the molecular formula C10H9N7OS and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID55261752
Molecular FormulaC10H9N7OS
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2-n2cnnn2)n[nH]1
InChIInChI=1S/C10H9N7OS/c1-6-4-8(14-13-6)12-10(18)9-7(2-3-19-9)17-5-11-15-16-17/h2-5H,1H3,(H2,12,13,14,18)
InChIKeyIWCUETUYLICCKC-UHFFFAOYSA-N
XLogP1.01
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 55261752) is N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2sccc2-n2cnnn2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is IWCUETUYLICCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7OS/c1-6-4-8(14-13-6)12-10(18)9-7(2-3-19-9)17-5-11-15-16-17/h2-5H,1H3,(H2,12,13,14,18).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55261752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).