(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

C18H26N4OS — CID 51960032

IUPAC(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)N2CCC[C@@H]2c2cccs2)n1
InChIInChI=1S/C18H26N4OS/c1-13(12-22-15(3)10-14(2)20-22)11-19-18(23)21-8-4-6-16(21)17-7-5-9-24-17/h5,7,9-10,13,16H,4,6,8,11-12H2,1-3H3,(H,19,23)/t13-,16-/m1/s1
InChIKeyCPJSGYQPOQBBFC-CZUORRHYSA-N
MW346.50 g/mol
LogP3.74
Rot. Bonds5

About (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 51960032) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID51960032
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)N2CCC[C@@H]2c2cccs2)n1
InChIInChI=1S/C18H26N4OS/c1-13(12-22-15(3)10-14(2)20-22)11-19-18(23)21-8-4-6-16(21)17-7-5-9-24-17/h5,7,9-10,13,16H,4,6,8,11-12H2,1-3H3,(H,19,23)/t13-,16-/m1/s1
InChIKeyCPJSGYQPOQBBFC-CZUORRHYSA-N
XLogP3.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 55929291
2-(3,5-dimethylpyrazol-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 47993168
(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51953844
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 94031608
ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 22586941
(1R,8S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 95237463
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 56799999
(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94124343
(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51957994
(2S)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94120095
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 47042505

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 51960032) is (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is Cc1cc(C)n(C[C@H](C)CNC(=O)N2CCC[C@@H]2c2cccs2)n1.
What is the InChIKey of (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is CPJSGYQPOQBBFC-CZUORRHYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13(12-22-15(3)10-14(2)20-22)11-19-18(23)21-8-4-6-16(21)17-7-5-9-24-17/h5,7,9-10,13,16H,4,6,8,11-12H2,1-3H3,(H,19,23)/t13-,16-/m1/s1.
What are the key properties of (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51960032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).