N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C10H9N7OS — CID 54897166

IUPACN-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1sccc1-n1cnnn1
InChIInChI=1S/C10H9N7OS/c18-10(11-3-7-4-12-13-5-7)9-8(1-2-19-9)17-6-14-15-16-17/h1-2,4-6H,3H2,(H,11,18)(H,12,13)
InChIKeyYZEKTEKNIBWHGU-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.38
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 54897166) has the molecular formula C10H9N7OS and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID54897166
Molecular FormulaC10H9N7OS
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1sccc1-n1cnnn1
InChIInChI=1S/C10H9N7OS/c18-10(11-3-7-4-12-13-5-7)9-8(1-2-19-9)17-6-14-15-16-17/h1-2,4-6H,3H2,(H,11,18)(H,12,13)
InChIKeyYZEKTEKNIBWHGU-UHFFFAOYSA-N
XLogP0.38
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 54897166) is N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NCc1cn[nH]c1)c1sccc1-n1cnnn1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is YZEKTEKNIBWHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7OS/c18-10(11-3-7-4-12-13-5-7)9-8(1-2-19-9)17-6-14-15-16-17/h1-2,4-6H,3H2,(H,11,18)(H,12,13).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 54897166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).