5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H9Cl2N5O — CID 74220553

IUPAC5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3ccn[nH]3)c[nH]n12
InChIInChI=1S/C15H9Cl2N5O/c16-10-2-1-8(5-11(10)17)13-6-14(23)22-15(20-13)9(7-19-22)12-3-4-18-21-12/h1-7,19H,(H,18,21)
InChIKeyCWDFDAZVDBXALK-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.39
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 74220553) has the molecular formula C15H9Cl2N5O and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID74220553
Molecular FormulaC15H9Cl2N5O
Molecular Weight346.18 g/mol
Exact Mass345.02
IUPAC Name5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3ccn[nH]3)c[nH]n12
InChIInChI=1S/C15H9Cl2N5O/c16-10-2-1-8(5-11(10)17)13-6-14(23)22-15(20-13)9(7-19-22)12-3-4-18-21-12/h1-7,19H,(H,18,21)
InChIKeyCWDFDAZVDBXALK-UHFFFAOYSA-N
XLogP3.39
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 74220553) is 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3ccn[nH]3)c[nH]n12.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CWDFDAZVDBXALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N5O/c16-10-2-1-8(5-11(10)17)13-6-14(23)22-15(20-13)9(7-19-22)12-3-4-18-21-12/h1-7,19H,(H,18,21).
What are the key properties of 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 346.18 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 74220553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).