N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C16H15N7O2 — CID 50967347

IUPACN-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)c1ncn[nH]1)C2
InChIInChI=1S/C16H15N7O2/c24-15(19-11-4-2-1-3-5-11)13-8-12-9-22(6-7-23(12)21-13)16(25)14-17-10-18-20-14/h1-5,8,10H,6-7,9H2,(H,19,24)(H,17,18,20)
InChIKeyJNCKBOXCKCDMKM-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.91
Rot. Bonds3

About N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50967347) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50967347
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)c1ncn[nH]1)C2
InChIInChI=1S/C16H15N7O2/c24-15(19-11-4-2-1-3-5-11)13-8-12-9-22(6-7-23(12)21-13)16(25)14-17-10-18-20-14/h1-5,8,10H,6-7,9H2,(H,19,24)(H,17,18,20)
InChIKeyJNCKBOXCKCDMKM-UHFFFAOYSA-N
XLogP0.91
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
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5-[(2S)-oxane-2-carbonyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
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[2-[[furan-3-ylmethyl(methyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 56891080
5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 171682210
3-[5-[2-(1H-1,2,4-triazol-5-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50967347) is N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)c1ncn[nH]1)C2.
What is the InChIKey of N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is JNCKBOXCKCDMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c24-15(19-11-4-2-1-3-5-11)13-8-12-9-22(6-7-23(12)21-13)16(25)14-17-10-18-20-14/h1-5,8,10H,6-7,9H2,(H,19,24)(H,17,18,20).
What are the key properties of N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50967347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).