5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid

C18H17N5O3 — CID 167985550

IUPAC5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1cnn2c1CN(c1nccc(OCc3ccccc3)n1)CC2
InChIInChI=1S/C18H17N5O3/c24-17(25)14-10-20-23-9-8-22(11-15(14)23)18-19-7-6-16(21-18)26-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,24,25)
InChIKeyNJNNSSJYLPYYLS-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.97
Rot. Bonds5

About 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid

5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 167985550) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
PubChem CID167985550
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1cnn2c1CN(c1nccc(OCc3ccccc3)n1)CC2
InChIInChI=1S/C18H17N5O3/c24-17(25)14-10-20-23-9-8-22(11-15(14)23)18-19-7-6-16(21-18)26-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,24,25)
InChIKeyNJNNSSJYLPYYLS-UHFFFAOYSA-N
XLogP1.97
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid (CID 167985550) is 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid is O=C(O)c1cnn2c1CN(c1nccc(OCc3ccccc3)n1)CC2.
What is the InChIKey of 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is NJNNSSJYLPYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-17(25)14-10-20-23-9-8-22(11-15(14)23)18-19-7-6-16(21-18)26-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,24,25).
What are the key properties of 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 167985550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).