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

C16H26N4O3 — CID 72863618

IUPACN-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCC(C)CC(=O)N1CCn2nc(CCC(=O)NCCO)cc2C1
InChIInChI=1S/C16H26N4O3/c1-12(2)9-16(23)19-6-7-20-14(11-19)10-13(18-20)3-4-15(22)17-5-8-21/h10,12,21H,3-9,11H2,1-2H3,(H,17,22)
InChIKeyGGVWHWRDFUDOAX-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.31
Rot. Bonds7

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

N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (PubChem CID 72863618) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
PubChem CID72863618
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCC(C)CC(=O)N1CCn2nc(CCC(=O)NCCO)cc2C1
InChIInChI=1S/C16H26N4O3/c1-12(2)9-16(23)19-6-7-20-14(11-19)10-13(18-20)3-4-15(22)17-5-8-21/h10,12,21H,3-9,11H2,1-2H3,(H,17,22)
InChIKeyGGVWHWRDFUDOAX-UHFFFAOYSA-N
XLogP0.31
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 72838255
N-cyclopropyl-3-[5-(2-ethoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72845562
3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide
CID 72924836
(2R)-2-amino-1-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 72883225
N-(2-hydroxyethyl)-3-(5-thieno[3,2-d]pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70735391
3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 95714424
3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide
CID 72909803
3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide
CID 72856640
3-[5-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56902134
3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56896836
2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-(2-phenylethyl)acetamide
CID 74246092
N,N-dimethyl-2-[(3-methylsulfanylpropanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70780461

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (CID 72863618) is N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is CC(C)CC(=O)N1CCn2nc(CCC(=O)NCCO)cc2C1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The InChIKey is GGVWHWRDFUDOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12(2)9-16(23)19-6-7-20-14(11-19)10-13(18-20)3-4-15(22)17-5-8-21/h10,12,21H,3-9,11H2,1-2H3,(H,17,22).
What are the key properties of N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is sourced from PubChem (CID 72863618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).