4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide

C17H17N3O2S — CID 40882617

IUPAC4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C17H17N3O2S/c1-12(15-9-6-10-23-15)18-17(21)16-14(22-2)11-20(19-16)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyVUDYQUXGLOKVCJ-GFCCVEGCSA-N
MW327.41 g/mol
LogP3.43
Rot. Bonds5

About 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide

4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide (PubChem CID 40882617) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide
PubChem CID40882617
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C17H17N3O2S/c1-12(15-9-6-10-23-15)18-17(21)16-14(22-2)11-20(19-16)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyVUDYQUXGLOKVCJ-GFCCVEGCSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94173289
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
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4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
4-methoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94025955
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
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4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 32632343

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide (CID 40882617) is 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1cccs1.
What is the InChIKey of 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide?
The InChIKey is VUDYQUXGLOKVCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12(15-9-6-10-23-15)18-17(21)16-14(22-2)11-20(19-16)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide?
4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 40882617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).