1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one

C14H12N4O — CID 13232092

IUPAC1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1ccc2nc(/C=C/c3cccnc3)cc(=O)n21
InChIInChI=1S/C14H12N4O/c1-17-8-6-13-16-12(9-14(19)18(13)17)5-4-11-3-2-7-15-10-11/h2-10H,1H3/b5-4+
InChIKeyBCXCMVHKDWAUEA-SNAWJCMRSA-N
MW252.28 g/mol
LogP1.60
Rot. Bonds2

About 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one

1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 13232092) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID13232092
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1ccc2nc(/C=C/c3cccnc3)cc(=O)n21
InChIInChI=1S/C14H12N4O/c1-17-8-6-13-16-12(9-14(19)18(13)17)5-4-11-3-2-7-15-10-11/h2-10H,1H3/b5-4+
InChIKeyBCXCMVHKDWAUEA-SNAWJCMRSA-N
XLogP1.60
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one (CID 13232092) is 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one is Cn1ccc2nc(/C=C/c3cccnc3)cc(=O)n21.
What is the InChIKey of 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BCXCMVHKDWAUEA-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H12N4O/c1-17-8-6-13-16-12(9-14(19)18(13)17)5-4-11-3-2-7-15-10-11/h2-10H,1H3/b5-4+.
What are the key properties of 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one?
1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 252.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 13232092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).