N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C18H19N7O2 — CID 95204473

IUPACN-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESC[C@H](C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1)n1cncn1
InChIInChI=1S/C18H19N7O2/c1-13(25-12-19-11-20-25)18(27)23-7-8-24-15(10-23)9-16(22-24)17(26)21-14-5-3-2-4-6-14/h2-6,9,11-13H,7-8,10H2,1H3,(H,21,26)/t13-/m1/s1
InChIKeyZLQXKNXYDVGAKU-CYBMUJFWSA-N
MW365.40 g/mol
LogP1.33
Rot. Bonds4

About N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 95204473) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID95204473
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESC[C@H](C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1)n1cncn1
InChIInChI=1S/C18H19N7O2/c1-13(25-12-19-11-20-25)18(27)23-7-8-24-15(10-23)9-16(22-24)17(26)21-14-5-3-2-4-6-14/h2-6,9,11-13H,7-8,10H2,1H3,(H,21,26)/t13-/m1/s1
InChIKeyZLQXKNXYDVGAKU-CYBMUJFWSA-N
XLogP1.33
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-5-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50958777
N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50967347
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 34950568
5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide
CID 50964296
5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56720802
5-[(2S)-oxane-2-carbonyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95127788
N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50978426
N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95120037
5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50951412
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95136435
1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 112816166

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 95204473) is N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is C[C@H](C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1)n1cncn1.
What is the InChIKey of N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is ZLQXKNXYDVGAKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-13(25-12-19-11-20-25)18(27)23-7-8-24-15(10-23)9-16(22-24)17(26)21-14-5-3-2-4-6-14/h2-6,9,11-13H,7-8,10H2,1H3,(H,21,26)/t13-/m1/s1.
What are the key properties of N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95204473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).