(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide

C19H26N4O2 — CID 124880451

IUPAC(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cnn1C
InChIInChI=1S/C19H26N4O2/c1-14-16(13-21-22(14)2)12-20-19(25)23-10-6-9-17(23)11-18(24)15-7-4-3-5-8-15/h3-5,7-8,13,17-18,24H,6,9-12H2,1-2H3,(H,20,25)/t17-,18+/m0/s1
InChIKeyZQFRXSDEQIRQDV-ZWKOTPCHSA-N
MW342.44 g/mol
LogP2.53
Rot. Bonds5

About (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide

(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide (PubChem CID 124880451) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide
PubChem CID124880451
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cnn1C
InChIInChI=1S/C19H26N4O2/c1-14-16(13-21-22(14)2)12-20-19(25)23-10-6-9-17(23)11-18(24)15-7-4-3-5-8-15/h3-5,7-8,13,17-18,24H,6,9-12H2,1-2H3,(H,20,25)/t17-,18+/m0/s1
InChIKeyZQFRXSDEQIRQDV-ZWKOTPCHSA-N
XLogP2.53
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 124516223
(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 95932321
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111505139
2-(2-hydroxy-2-phenylethyl)-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71868512
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 119065952
4-[[[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020978
2-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 111476043
N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111841104
(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 95909147
2-(2-hydroxy-2-phenylethyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 111578773
[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]-[(2S)-2-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 99774743
(1,5-dimethylpyrazol-3-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472339

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide (CID 124880451) is (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide is Cc1c(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cnn1C.
What is the InChIKey of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide?
The InChIKey is ZQFRXSDEQIRQDV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-16(13-21-22(14)2)12-20-19(25)23-10-6-9-17(23)11-18(24)15-7-4-3-5-8-15/h3-5,7-8,13,17-18,24H,6,9-12H2,1-2H3,(H,20,25)/t17-,18+/m0/s1.
What are the key properties of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide?
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124880451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).