7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide

C15H18N4O2 — CID 144845559

IUPAC7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cccc(-c2nn3c(c2C(N)=O)CNCC3CO)c1
InChIInChI=1S/C15H18N4O2/c1-9-3-2-4-10(5-9)14-13(15(16)21)12-7-17-6-11(8-20)19(12)18-14/h2-5,11,17,20H,6-8H2,1H3,(H2,16,21)
InChIKeyYLBHVGMZUHISER-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.59
Rot. Bonds3

About 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide

7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 144845559) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID144845559
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cccc(-c2nn3c(c2C(N)=O)CNCC3CO)c1
InChIInChI=1S/C15H18N4O2/c1-9-3-2-4-10(5-9)14-13(15(16)21)12-7-17-6-11(8-20)19(12)18-14/h2-5,11,17,20H,6-8H2,1H3,(H2,16,21)
InChIKeyYLBHVGMZUHISER-UHFFFAOYSA-N
XLogP0.59
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 144845559) is 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1cccc(-c2nn3c(c2C(N)=O)CNCC3CO)c1.
What is the InChIKey of 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is YLBHVGMZUHISER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-3-2-4-10(5-9)14-13(15(16)21)12-7-17-6-11(8-20)19(12)18-14/h2-5,11,17,20H,6-8H2,1H3,(H2,16,21).
What are the key properties of 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 144845559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).