2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H11Cl2N5O — CID 92578328

IUPAC2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cn2cccn2)nc2cc(-c3ccc(Cl)cc3Cl)[nH]n12
InChIInChI=1S/C16H11Cl2N5O/c17-10-2-3-12(13(18)6-10)14-8-15-20-11(7-16(24)23(15)21-14)9-22-5-1-4-19-22/h1-8,21H,9H2
InChIKeyUZYLVNASZCSKCW-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.24
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92578328) has the molecular formula C16H11Cl2N5O and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92578328
Molecular FormulaC16H11Cl2N5O
Molecular Weight360.20 g/mol
Exact Mass359.03
IUPAC Name2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cn2cccn2)nc2cc(-c3ccc(Cl)cc3Cl)[nH]n12
InChIInChI=1S/C16H11Cl2N5O/c17-10-2-3-12(13(18)6-10)14-8-15-20-11(7-16(24)23(15)21-14)9-22-5-1-4-19-22/h1-8,21H,9H2
InChIKeyUZYLVNASZCSKCW-UHFFFAOYSA-N
XLogP3.24
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92578328) is 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(Cn2cccn2)nc2cc(-c3ccc(Cl)cc3Cl)[nH]n12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UZYLVNASZCSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O/c17-10-2-3-12(13(18)6-10)14-8-15-20-11(7-16(24)23(15)21-14)9-22-5-1-4-19-22/h1-8,21H,9H2.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 360.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92578328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).