7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile

C20H16N4O2 — CID 143439341

IUPAC7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
SMILESN#CC1C=C2NC(c3ccc(OCc4ccccc4)cc3)=CC(=O)N2N1
InChIInChI=1S/C20H16N4O2/c21-12-16-10-19-22-18(11-20(25)24(19)23-16)15-6-8-17(9-7-15)26-13-14-4-2-1-3-5-14/h1-11,16,22-23H,13H2
InChIKeyFNASLYBKXUPHCG-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.29
Rot. Bonds4

About 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile

7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile (PubChem CID 143439341) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
PubChem CID143439341
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
SMILESN#CC1C=C2NC(c3ccc(OCc4ccccc4)cc3)=CC(=O)N2N1
InChIInChI=1S/C20H16N4O2/c21-12-16-10-19-22-18(11-20(25)24(19)23-16)15-6-8-17(9-7-15)26-13-14-4-2-1-3-5-14/h1-11,16,22-23H,13H2
InChIKeyFNASLYBKXUPHCG-UHFFFAOYSA-N
XLogP2.29
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
The IUPAC name of 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile (CID 143439341) is 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile.
What is the SMILES notation for 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
The canonical SMILES for 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile is N#CC1C=C2NC(c3ccc(OCc4ccccc4)cc3)=CC(=O)N2N1.
What is the InChIKey of 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
The InChIKey is FNASLYBKXUPHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-12-16-10-19-22-18(11-20(25)24(19)23-16)15-6-8-17(9-7-15)26-13-14-4-2-1-3-5-14/h1-11,16,22-23H,13H2.
What are the key properties of 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile has a molecular weight of 344.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile is sourced from PubChem (CID 143439341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).