1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

C16H14FN3O2S — CID 25284352

IUPAC1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
InChIInChI=1S/C16H14FN3O2S/c1-22-14-10-20(12-6-4-11(17)5-7-12)19-15(14)16(21)18-9-13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyGLMORLQOVRZPMP-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.01
Rot. Bonds5

About 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 25284352) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID25284352
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
InChIInChI=1S/C16H14FN3O2S/c1-22-14-10-20(12-6-4-11(17)5-7-12)19-15(14)16(21)18-9-13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyGLMORLQOVRZPMP-UHFFFAOYSA-N
XLogP3.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
1-(4-fluorophenyl)-4-methoxy-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 25284363
4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 45283988
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284369
1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)-1H-pyrazole-3-carboxamide
CID 25284338
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284344
N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284359
1-(4-fluorophenyl)-4-methoxy-N-(3-(methylthio)phenyl)-1H-pyrazole-3-carboxamide
CID 42109695
1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 42109700
4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
CID 42109711
N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 42109714
1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxy-1H-pyrazole-3-carboxamide
CID 42109760

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (CID 25284352) is 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is GLMORLQOVRZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-22-14-10-20(12-6-4-11(17)5-7-12)19-15(14)16(21)18-9-13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,21).
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxy-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 25284352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).