N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

C19H24N4O4 — CID 72914036

IUPACN-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESO=C(CCc1cc2n(n1)CCN(C(=O)[C@@H](O)c1ccccc1)C2)NCCO
InChIInChI=1S/C19H24N4O4/c24-11-8-20-17(25)7-6-15-12-16-13-22(9-10-23(16)21-15)19(27)18(26)14-4-2-1-3-5-14/h1-5,12,18,24,26H,6-11,13H2,(H,20,25)/t18-/m0/s1
InChIKeyHXSQQTPYSCYXBA-SFHVURJKSA-N
MW372.43 g/mol
LogP0.00
Rot. Bonds7

About N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (PubChem CID 72914036) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
PubChem CID72914036
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESO=C(CCc1cc2n(n1)CCN(C(=O)[C@@H](O)c1ccccc1)C2)NCCO
InChIInChI=1S/C19H24N4O4/c24-11-8-20-17(25)7-6-15-12-16-13-22(9-10-23(16)21-15)19(27)18(26)14-4-2-1-3-5-14/h1-5,12,18,24,26H,6-11,13H2,(H,20,25)/t18-/m0/s1
InChIKeyHXSQQTPYSCYXBA-SFHVURJKSA-N
XLogP0.00
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (CID 72914036) is N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is O=C(CCc1cc2n(n1)CCN(C(=O)[C@@H](O)c1ccccc1)C2)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The InChIKey is HXSQQTPYSCYXBA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O4/c24-11-8-20-17(25)7-6-15-12-16-13-22(9-10-23(16)21-15)19(27)18(26)14-4-2-1-3-5-14/h1-5,12,18,24,26H,6-11,13H2,(H,20,25)/t18-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide has a molecular weight of 372.43 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[5-[(2S)-2-hydroxy-2-phenylacetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is sourced from PubChem (CID 72914036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).