1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide

C19H14N4OS — CID 2999058

IUPAC1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H14N4OS/c24-19(21-14-6-4-10-20-12-14)16-13-23(15-7-2-1-3-8-15)22-18(16)17-9-5-11-25-17/h1-13H,(H,21,24)
InChIKeyXBEBONAQLXUAGH-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.25
Rot. Bonds4

About 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide

1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2999058) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2999058
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H14N4OS/c24-19(21-14-6-4-10-20-12-14)16-13-23(15-7-2-1-3-8-15)22-18(16)17-9-5-11-25-17/h1-13H,(H,21,24)
InChIKeyXBEBONAQLXUAGH-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2999058) is 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is XBEBONAQLXUAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-19(21-14-6-4-10-20-12-14)16-13-23(15-7-2-1-3-8-15)22-18(16)17-9-5-11-25-17/h1-13H,(H,21,24).
What are the key properties of 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide?
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2999058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).