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

C17H22N4O2 — CID 91774379

IUPAC2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCCNC(=O)N1CCn2nc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C17H22N4O2/c1-2-8-18-17(23)20-9-10-21-14(12-20)11-15(19-21)16(22)13-6-4-3-5-7-13/h3-7,11,16,22H,2,8-10,12H2,1H3,(H,18,23)
InChIKeyNEGQZERPNFHMEU-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.90
Rot. Bonds4

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

2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 91774379) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID91774379
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCCNC(=O)N1CCn2nc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C17H22N4O2/c1-2-8-18-17(23)20-9-10-21-14(12-20)11-15(19-21)16(22)13-6-4-3-5-7-13/h3-7,11,16,22H,2,8-10,12H2,1H3,(H,18,23)
InChIKeyNEGQZERPNFHMEU-UHFFFAOYSA-N
XLogP1.90
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 91774379) is 2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CCCNC(=O)N1CCn2nc(C(O)c3ccccc3)cc2C1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is NEGQZERPNFHMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-8-18-17(23)20-9-10-21-14(12-20)11-15(19-21)16(22)13-6-4-3-5-7-13/h3-7,11,16,22H,2,8-10,12H2,1H3,(H,18,23).
What are the key properties of 2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 91774379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).