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

C19H22N8O2 — CID 121496207

IUPACN-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESCC(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(-n4cnnn4)cc3)cc2C1
InChIInChI=1S/C19H22N8O2/c1-13(2)19(29)25-7-8-26-17(11-25)9-15(22-26)10-20-18(28)14-3-5-16(6-4-14)27-12-21-23-24-27/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,28)
InChIKeyTVBSUNGNMTZZCR-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.79
Rot. Bonds5

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

N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 121496207) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID121496207
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESCC(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(-n4cnnn4)cc3)cc2C1
InChIInChI=1S/C19H22N8O2/c1-13(2)19(29)25-7-8-26-17(11-25)9-15(22-26)10-20-18(28)14-3-5-16(6-4-14)27-12-21-23-24-27/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,28)
InChIKeyTVBSUNGNMTZZCR-UHFFFAOYSA-N
XLogP0.79
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-3-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 118767725
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
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-ethoxy-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 118780463
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-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]quinoline-6-carboxamide
CID 72888278
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide
CID 118766639
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide (CID 121496207) is N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide is CC(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(-n4cnnn4)cc3)cc2C1.
What is the InChIKey of N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is TVBSUNGNMTZZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-13(2)19(29)25-7-8-26-17(11-25)9-15(22-26)10-20-18(28)14-3-5-16(6-4-14)27-12-21-23-24-27/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,28).
What are the key properties of N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide?
N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 394.44 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 121496207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).