3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

C19H31N5O3 — CID 91765322

IUPAC3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCN(C)C(=O)CC(O)c1cc2n(n1)CCN(C(=O)CCCN1CCCC1)C2
InChIInChI=1S/C19H31N5O3/c1-21(2)19(27)13-17(25)16-12-15-14-23(10-11-24(15)20-16)18(26)6-5-9-22-7-3-4-8-22/h12,17,25H,3-11,13-14H2,1-2H3
InChIKeyFPGJCPCPUYRKKN-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.61
Rot. Bonds7

About 3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (PubChem CID 91765322) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
PubChem CID91765322
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCN(C)C(=O)CC(O)c1cc2n(n1)CCN(C(=O)CCCN1CCCC1)C2
InChIInChI=1S/C19H31N5O3/c1-21(2)19(27)13-17(25)16-12-15-14-23(10-11-24(15)20-16)18(26)6-5-9-22-7-3-4-8-22/h12,17,25H,3-11,13-14H2,1-2H3
InChIKeyFPGJCPCPUYRKKN-UHFFFAOYSA-N
XLogP0.61
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(5-chlorothiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
CID 91781680
3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
CID 90650539
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
5-[3-[2-[2-(dimethylamino)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 91779226
3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
CID 91841528
3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91779057
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
3-ethylsulfanyl-1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 90649418
1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
CID 91788695
1-[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90650107
4,4,4-trifluoro-1-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one
CID 90648288
1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone
CID 99979313

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The IUPAC name of 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) is 3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is CN(C)C(=O)CC(O)c1cc2n(n1)CCN(C(=O)CCCN1CCCC1)C2.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The InChIKey is FPGJCPCPUYRKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-21(2)19(27)13-17(25)16-12-15-14-23(10-11-24(15)20-16)18(26)6-5-9-22-7-3-4-8-22/h12,17,25H,3-11,13-14H2,1-2H3.
What are the key properties of 3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-3-[5-(4-pyrrolidin-1-ylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is sourced from PubChem (CID 91765322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).