1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one

C21H25N5O2 — CID 90647542

IUPAC1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one
SMILESO=C(CCCn1ccnc1)N1CCn2nc(C(O)Cc3ccccc3)cc2C1
InChIInChI=1S/C21H25N5O2/c27-20(13-17-5-2-1-3-6-17)19-14-18-15-25(11-12-26(18)23-19)21(28)7-4-9-24-10-8-22-16-24/h1-3,5-6,8,10,14,16,20,27H,4,7,9,11-13,15H2
InChIKeyKRDOCIXAHLNSSO-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.18
Rot. Bonds7

About 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one

1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one (PubChem CID 90647542) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one
PubChem CID90647542
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one
SMILESO=C(CCCn1ccnc1)N1CCn2nc(C(O)Cc3ccccc3)cc2C1
InChIInChI=1S/C21H25N5O2/c27-20(13-17-5-2-1-3-6-17)19-14-18-15-25(11-12-26(18)23-19)21(28)7-4-9-24-10-8-22-16-24/h1-3,5-6,8,10,14,16,20,27H,4,7,9,11-13,15H2
InChIKeyKRDOCIXAHLNSSO-UHFFFAOYSA-N
XLogP2.18
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 90653276
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 86848942
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 90653351
3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 91765322
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
3-ethylsulfanyl-1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 90649418
(E)-1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-phenylprop-2-en-1-one
CID 91794202
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one
CID 70767519
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 91828367
1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
CID 123629266
1-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-4-imidazol-1-ylbutan-1-one
CID 110062641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one?
The IUPAC name of 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one (CID 90647542) is 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one?
The canonical SMILES for 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one is O=C(CCCn1ccnc1)N1CCn2nc(C(O)Cc3ccccc3)cc2C1.
What is the InChIKey of 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one?
The InChIKey is KRDOCIXAHLNSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-20(13-17-5-2-1-3-6-17)19-14-18-15-25(11-12-26(18)23-19)21(28)7-4-9-24-10-8-22-16-24/h1-3,5-6,8,10,14,16,20,27H,4,7,9,11-13,15H2.
What are the key properties of 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one?
1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one has a molecular weight of 379.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one is sourced from PubChem (CID 90647542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).