4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide

C19H24N4O3 — CID 118776714

IUPAC4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
SMILESCC(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(CO)cc3)cc2C1
InChIInChI=1S/C19H24N4O3/c1-13(2)19(26)22-7-8-23-17(11-22)9-16(21-23)10-20-18(25)15-5-3-14(12-24)4-6-15/h3-6,9,13,24H,7-8,10-12H2,1-2H3,(H,20,25)
InChIKeyHKHOSACKIZNSNF-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.30
Rot. Bonds5

About 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide

4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide (PubChem CID 118776714) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
PubChem CID118776714
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
SMILESCC(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(CO)cc3)cc2C1
InChIInChI=1S/C19H24N4O3/c1-13(2)19(26)22-7-8-23-17(11-22)9-16(21-23)10-20-18(25)15-5-3-14(12-24)4-6-15/h3-6,9,13,24H,7-8,10-12H2,1-2H3,(H,20,25)
InChIKeyHKHOSACKIZNSNF-UHFFFAOYSA-N
XLogP1.30
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 121496207
4-methoxy-3-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 118767725
1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide
CID 118775367
4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 118773964
N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]thiomorpholine-4-carboxamide
CID 122562948
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346
2-ethoxy-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 118780463
7-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 118764235
2-[[(4-ethoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70713260
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
CID 122566386
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]quinoline-6-carboxamide
CID 72888278
1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
CID 125447956

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide (CID 118776714) is 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide is CC(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(CO)cc3)cc2C1.
What is the InChIKey of 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide?
The InChIKey is HKHOSACKIZNSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)19(26)22-7-8-23-17(11-22)9-16(21-23)10-20-18(25)15-5-3-14(12-24)4-6-15/h3-6,9,13,24H,7-8,10-12H2,1-2H3,(H,20,25).
What are the key properties of 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide?
4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide is sourced from PubChem (CID 118776714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).