1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one

C19H22N4O3 — CID 91759912

IUPAC1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCn2nc(C(O)CO)cc2C1
InChIInChI=1S/C19H22N4O3/c24-12-18(25)17-9-14-11-22(7-8-23(14)21-17)19(26)6-5-13-10-20-16-4-2-1-3-15(13)16/h1-4,9-10,18,20,24-25H,5-8,11-12H2
InChIKeySFRWAJRIYRLARI-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.37
Rot. Bonds5

About 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one

1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 91759912) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID91759912
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCn2nc(C(O)CO)cc2C1
InChIInChI=1S/C19H22N4O3/c24-12-18(25)17-9-14-11-22(7-8-23(14)21-17)19(26)6-5-13-10-20-16-4-2-1-3-15(13)16/h1-4,9-10,18,20,24-25H,5-8,11-12H2
InChIKeySFRWAJRIYRLARI-UHFFFAOYSA-N
XLogP1.37
TPSA94.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
3-(1H-indol-3-yl)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 50957558
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 176506843
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
3-[3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 91797624
3-[3-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 99998541
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 91775961
[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 99974491

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one (CID 91759912) is 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCn2nc(C(O)CO)cc2C1.
What is the InChIKey of 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is SFRWAJRIYRLARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-12-18(25)17-9-14-11-22(7-8-23(14)21-17)19(26)6-5-13-10-20-16-4-2-1-3-15(13)16/h1-4,9-10,18,20,24-25H,5-8,11-12H2.
What are the key properties of 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 354.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 91759912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).