[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone

C21H23N5O2 — CID 91792980

IUPAC[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)c1cnc(C)nc1-c1ccccc1)C2
InChIInChI=1S/C21H23N5O2/c1-3-19(27)18-11-16-13-25(9-10-26(16)24-18)21(28)17-12-22-14(2)23-20(17)15-7-5-4-6-8-15/h4-8,11-12,19,27H,3,9-10,13H2,1-2H3
InChIKeyNEHDXBHDEICUBH-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.75
Rot. Bonds4

About [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone

[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone (PubChem CID 91792980) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
PubChem CID91792980
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)c1cnc(C)nc1-c1ccccc1)C2
InChIInChI=1S/C21H23N5O2/c1-3-19(27)18-11-16-13-25(9-10-26(16)24-18)21(28)17-12-22-14(2)23-20(17)15-7-5-4-6-8-15/h4-8,11-12,19,27H,3,9-10,13H2,1-2H3
InChIKeyNEHDXBHDEICUBH-UHFFFAOYSA-N
XLogP2.75
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone?
The IUPAC name of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone (CID 91792980) is [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone is CCC(O)c1cc2n(n1)CCN(C(=O)c1cnc(C)nc1-c1ccccc1)C2.
What is the InChIKey of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone?
The InChIKey is NEHDXBHDEICUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-19(27)18-11-16-13-25(9-10-26(16)24-18)21(28)17-12-22-14(2)23-20(17)15-7-5-4-6-8-15/h4-8,11-12,19,27H,3,9-10,13H2,1-2H3.
What are the key properties of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone?
[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 91792980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).