N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C18H19N3O2S — CID 42282155

IUPACN-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-13(12-23-2)19-18(22)15-11-21(14-7-4-3-5-8-14)20-17(15)16-9-6-10-24-16/h3-11,13H,12H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyMBTDODWBQLCOEV-CYBMUJFWSA-N
MW341.44 g/mol
LogP3.37
Rot. Bonds6

About N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 42282155) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID42282155
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-13(12-23-2)19-18(22)15-11-21(14-7-4-3-5-8-14)20-17(15)16-9-6-10-24-16/h3-11,13H,12H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyMBTDODWBQLCOEV-CYBMUJFWSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282130
3-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42988922
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24517109
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55595337
1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 112758981
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 42282155) is N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is COC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is MBTDODWBQLCOEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13(12-23-2)19-18(22)15-11-21(14-7-4-3-5-8-14)20-17(15)16-9-6-10-24-16/h3-11,13H,12H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42282155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).