N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

C18H19N3O2S — CID 164633474

IUPACN-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESCCO[C@@H](CNC(=O)c1cn[nH]c1-c1ccsc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-16(13-6-4-3-5-7-13)11-19-18(22)15-10-20-21-17(15)14-8-9-24-12-14/h3-10,12,16H,2,11H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyTWBVZSLTBFPGGG-INIZCTEOSA-N
MW341.44 g/mol
LogP3.65
Rot. Bonds7

About N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 164633474) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
PubChem CID164633474
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESCCO[C@@H](CNC(=O)c1cn[nH]c1-c1ccsc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-16(13-6-4-3-5-7-13)11-19-18(22)15-10-20-21-17(15)14-8-9-24-12-14/h3-10,12,16H,2,11H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyTWBVZSLTBFPGGG-INIZCTEOSA-N
XLogP3.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone
CID 71918016
(1-Amino-1-oxopropan-2-yl) 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16274832
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70729636
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066374
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 126790112
5-cyclohexyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thiophene-3-carboxamide
CID 164630111
N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 164641368
[3-(4-fluorophenyl)morpholin-4-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 58110226
8,8-difluoro-6-methyl-6-phenylmethoxy-2-(1H-pyrazol-4-yl)-7,9-dihydro-5H-thieno[2,3-c]quinolin-4-one
CID 165135497
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 29512552
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 39120169
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 39120175

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (CID 164633474) is N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is CCO[C@@H](CNC(=O)c1cn[nH]c1-c1ccsc1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is TWBVZSLTBFPGGG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-23-16(13-6-4-3-5-7-13)11-19-18(22)15-10-20-21-17(15)14-8-9-24-12-14/h3-10,12,16H,2,11H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 164633474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).