2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

C9H7Cl2N3OS — CID 32606401

IUPAC2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2cc(Cl)sc2Cl)cn1
InChIInChI=1S/C9H7Cl2N3OS/c1-14-4-5(3-12-14)13-9(15)6-2-7(10)16-8(6)11/h2-4H,1H3,(H,13,15)
InChIKeyQPFPRXYDOGLHRK-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.04
Rot. Bonds2

About 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 32606401) has the molecular formula C9H7Cl2N3OS and a molecular weight of 276.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
PubChem CID32606401
Molecular FormulaC9H7Cl2N3OS
Molecular Weight276.15 g/mol
Exact Mass274.97
IUPAC Name2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2cc(Cl)sc2Cl)cn1
InChIInChI=1S/C9H7Cl2N3OS/c1-14-4-5(3-12-14)13-9(15)6-2-7(10)16-8(6)11/h2-4H,1H3,(H,13,15)
InChIKeyQPFPRXYDOGLHRK-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (CID 32606401) is 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is Cn1cc(NC(=O)c2cc(Cl)sc2Cl)cn1.
What is the InChIKey of 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is QPFPRXYDOGLHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3OS/c1-14-4-5(3-12-14)13-9(15)6-2-7(10)16-8(6)11/h2-4H,1H3,(H,13,15).
What are the key properties of 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 276.15 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 32606401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).