2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C19H26N4O3 — CID 99978225

IUPAC2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1CCn2nc([C@H](C)O)cc2C1
InChIInChI=1S/C19H26N4O3/c1-14(24)17-11-16-12-22(9-10-23(16)21-17)13-19(25)20-8-7-15-5-3-4-6-18(15)26-2/h3-6,11,14,24H,7-10,12-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyWEAMYPXNTXMGJC-AWEZNQCLSA-N
MW358.44 g/mol
LogP1.12
Rot. Bonds7

About 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 99978225) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID99978225
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1CCn2nc([C@H](C)O)cc2C1
InChIInChI=1S/C19H26N4O3/c1-14(24)17-11-16-12-22(9-10-23(16)21-17)13-19(25)20-8-7-15-5-3-4-6-18(15)26-2/h3-6,11,14,24H,7-10,12-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyWEAMYPXNTXMGJC-AWEZNQCLSA-N
XLogP1.12
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30672521
2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-(2-phenylethyl)acetamide
CID 74246092
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120774994
methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 78779713
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
N-[2-(2-methoxyphenyl)ethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146911
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055335
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 99978225) is 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CN1CCn2nc([C@H](C)O)cc2C1.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is WEAMYPXNTXMGJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(24)17-11-16-12-22(9-10-23(16)21-17)13-19(25)20-8-7-15-5-3-4-6-18(15)26-2/h3-6,11,14,24H,7-10,12-13H2,1-2H3,(H,20,25)/t14-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 99978225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).