3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H14ClN5O — CID 70925581

IUPAC3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccc4[nH]ncc4c3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN5O/c1-11-19(12-2-5-15(21)6-3-12)20-23-17(9-18(27)26(20)25-11)13-4-7-16-14(8-13)10-22-24-16/h2-10,25H,1H3,(H,22,24)
InChIKeyFMSFAXWDVOYNFF-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.19
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925581) has the molecular formula C20H14ClN5O and a molecular weight of 375.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925581
Molecular FormulaC20H14ClN5O
Molecular Weight375.82 g/mol
Exact Mass375.09
IUPAC Name3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccc4[nH]ncc4c3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN5O/c1-11-19(12-2-5-15(21)6-3-12)20-23-17(9-18(27)26(20)25-11)13-4-7-16-14(8-13)10-22-24-16/h2-10,25H,1H3,(H,22,24)
InChIKeyFMSFAXWDVOYNFF-UHFFFAOYSA-N
XLogP4.19
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925581) is 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3ccc4[nH]ncc4c3)nc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FMSFAXWDVOYNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O/c1-11-19(12-2-5-15(21)6-3-12)20-23-17(9-18(27)26(20)25-11)13-4-7-16-14(8-13)10-22-24-16/h2-10,25H,1H3,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 375.82 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(1H-indazol-5-yl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).