4-thiophen-2-yl-1H-pyrazole-5-carboxamide

C8H7N3OS — CID 156598316

IUPAC4-thiophen-2-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1-c1cccs1
InChIInChI=1S/C8H7N3OS/c9-8(12)7-5(4-10-11-7)6-2-1-3-13-6/h1-4H,(H2,9,12)(H,10,11)
InChIKeyQDTGSNOBEGNIPN-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.24
Rot. Bonds2

About 4-thiophen-2-yl-1H-pyrazole-5-carboxamide

4-thiophen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 156598316) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-thiophen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-thiophen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID156598316
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name4-thiophen-2-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1-c1cccs1
InChIInChI=1S/C8H7N3OS/c9-8(12)7-5(4-10-11-7)6-2-1-3-13-6/h1-4H,(H2,9,12)(H,10,11)
InChIKeyQDTGSNOBEGNIPN-UHFFFAOYSA-N
XLogP1.24
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-thiophen-2-yl-1H-pyrazole-5-carboxamide (CID 156598316) is 4-thiophen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-thiophen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-thiophen-2-yl-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1-c1cccs1.
What is the InChIKey of 4-thiophen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is QDTGSNOBEGNIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-8(12)7-5(4-10-11-7)6-2-1-3-13-6/h1-4H,(H2,9,12)(H,10,11).
What are the key properties of 4-thiophen-2-yl-1H-pyrazole-5-carboxamide?
4-thiophen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 193.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 156598316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).