N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride

C23H27ClN4O2 — CID 154893547

IUPACN-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc2n(n1)CCNC2)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C23H26N4O2.ClH/c28-21(12-11-19-15-20-16-24-13-14-27(20)26-19)25-22(17-7-3-1-4-8-17)23(29)18-9-5-2-6-10-18;/h1-10,15,22-24,29H,11-14,16H2,(H,25,28);1H/t22-,23+;/m0./s1
InChIKeyYTUIOQNVGWTDTO-PEADMDKFSA-N
MW426.95 g/mol
LogP2.93
Rot. Bonds7

About N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride

N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride (PubChem CID 154893547) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
PubChem CID154893547
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC NameN-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc2n(n1)CCNC2)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C23H26N4O2.ClH/c28-21(12-11-19-15-20-16-24-13-14-27(20)26-19)25-22(17-7-3-1-4-8-17)23(29)18-9-5-2-6-10-18;/h1-10,15,22-24,29H,11-14,16H2,(H,25,28);1H/t22-,23+;/m0./s1
InChIKeyYTUIOQNVGWTDTO-PEADMDKFSA-N
XLogP2.93
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 70752205
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70706905
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride (CID 154893547) is N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride is Cl.O=C(CCc1cc2n(n1)CCNC2)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
The InChIKey is YTUIOQNVGWTDTO-PEADMDKFSA-N. The full InChI is InChI=1S/C23H26N4O2.ClH/c28-21(12-11-19-15-20-16-24-13-14-27(20)26-19)25-22(17-7-3-1-4-8-17)23(29)18-9-5-2-6-10-18;/h1-10,15,22-24,29H,11-14,16H2,(H,25,28);1H/t22-,23+;/m0./s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride has a molecular weight of 426.95 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 154893547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).