2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide

C17H20N4O3 — CID 131693452

IUPAC2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CN(C(=O)c2cccc(O)c2)Cc2ccnn21
InChIInChI=1S/C17H20N4O3/c1-19(2)16(23)9-14-11-20(10-13-6-7-18-21(13)14)17(24)12-4-3-5-15(22)8-12/h3-8,14,22H,9-11H2,1-2H3
InChIKeyURJWZCPLPHIGLO-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.26
Rot. Bonds3

About 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide

2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide (PubChem CID 131693452) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide
PubChem CID131693452
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CN(C(=O)c2cccc(O)c2)Cc2ccnn21
InChIInChI=1S/C17H20N4O3/c1-19(2)16(23)9-14-11-20(10-13-6-7-18-21(13)14)17(24)12-4-3-5-15(22)8-12/h3-8,14,22H,9-11H2,1-2H3
InChIKeyURJWZCPLPHIGLO-UHFFFAOYSA-N
XLogP1.26
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(7S)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124801276
N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124810265
[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 131640417
5-(3-hydroxybenzoyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155863575
N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124781960
[(7R)-7-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-quinolin-2-ylmethanone
CID 124819603
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
(3-hydroxyphenyl)-(4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 131693513
2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide
CID 131693559
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
1-benzothiophen-2-yl-[(7R)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124789016
N-methyl-2-[5-(pyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131693758

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide (CID 131693452) is 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CN(C(=O)c2cccc(O)c2)Cc2ccnn21.
What is the InChIKey of 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide?
The InChIKey is URJWZCPLPHIGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-19(2)16(23)9-14-11-20(10-13-6-7-18-21(13)14)17(24)12-4-3-5-15(22)8-12/h3-8,14,22H,9-11H2,1-2H3.
What are the key properties of 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide?
2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide has a molecular weight of 328.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 131693452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).