(2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide

C22H32N4O3 — CID 129455075

IUPAC(2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide
SMILESCc1cc(C)n(CCOc2ccc(CN3CCC[C@@]3(C)C(=O)NCCO)cc2)n1
InChIInChI=1S/C22H32N4O3/c1-17-15-18(2)26(24-17)12-14-29-20-7-5-19(6-8-20)16-25-11-4-9-22(25,3)21(28)23-10-13-27/h5-8,15,27H,4,9-14,16H2,1-3H3,(H,23,28)/t22-/m0/s1
InChIKeyHBCPWCQYZLESSW-QFIPXVFZSA-N
MW400.52 g/mol
LogP2.04
Rot. Bonds9

About (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide

(2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 129455075) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID129455075
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name(2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide
SMILESCc1cc(C)n(CCOc2ccc(CN3CCC[C@@]3(C)C(=O)NCCO)cc2)n1
InChIInChI=1S/C22H32N4O3/c1-17-15-18(2)26(24-17)12-14-29-20-7-5-19(6-8-20)16-25-11-4-9-22(25,3)21(28)23-10-13-27/h5-8,15,27H,4,9-14,16H2,1-3H3,(H,23,28)/t22-/m0/s1
InChIKeyHBCPWCQYZLESSW-QFIPXVFZSA-N
XLogP2.04
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 132765485
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CID 104599147
N-[[(3S,4R)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3,4-dihydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 155992105
1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol
CID 132766921
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
CID 124944516
1-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266857
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CID 55562039
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CID 82301522
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CID 573590
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CID 87004124
methyl 4-[[5-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]furan-2-yl]methoxy]benzoate
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide (CID 129455075) is (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide is Cc1cc(C)n(CCOc2ccc(CN3CCC[C@@]3(C)C(=O)NCCO)cc2)n1.
What is the InChIKey of (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is HBCPWCQYZLESSW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-17-15-18(2)26(24-17)12-14-29-20-7-5-19(6-8-20)16-25-11-4-9-22(25,3)21(28)23-10-13-27/h5-8,15,27H,4,9-14,16H2,1-3H3,(H,23,28)/t22-/m0/s1.
What are the key properties of (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide?
(2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-N-(2-hydroxyethyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 129455075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).