5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide

C9H8FN3OS — CID 119056288

IUPAC5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(F)s1
InChIInChI=1S/C9H8FN3OS/c10-8-2-1-7(15-8)9(14)11-5-6-3-4-12-13-6/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKeyCABWXGSCGJKXHB-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.54
Rot. Bonds3

About 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide

5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide (PubChem CID 119056288) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
PubChem CID119056288
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(F)s1
InChIInChI=1S/C9H8FN3OS/c10-8-2-1-7(15-8)9(14)11-5-6-3-4-12-13-6/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKeyCABWXGSCGJKXHB-UHFFFAOYSA-N
XLogP1.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide (CID 119056288) is 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccn[nH]1)c1ccc(F)s1.
What is the InChIKey of 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide?
The InChIKey is CABWXGSCGJKXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-8-2-1-7(15-8)9(14)11-5-6-3-4-12-13-6/h1-4H,5H2,(H,11,14)(H,12,13).
What are the key properties of 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide?
5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 119056288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).