2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H16ClN5O — CID 92596531

IUPAC2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2cccc(Cl)c2)[nH]n2c(=O)cc([C@@H](C)n3ccnc3)nc12
InChIInChI=1S/C18H16ClN5O/c1-11-17(13-4-3-5-14(19)8-13)22-24-16(25)9-15(21-18(11)24)12(2)23-7-6-20-10-23/h3-10,12,22H,1-2H3/t12-/m1/s1
InChIKeyHFTLDFWHHTVMPP-GFCCVEGCSA-N
MW353.81 g/mol
LogP3.46
Rot. Bonds3

About 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92596531) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92596531
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2cccc(Cl)c2)[nH]n2c(=O)cc([C@@H](C)n3ccnc3)nc12
InChIInChI=1S/C18H16ClN5O/c1-11-17(13-4-3-5-14(19)8-13)22-24-16(25)9-15(21-18(11)24)12(2)23-7-6-20-10-23/h3-10,12,22H,1-2H3/t12-/m1/s1
InChIKeyHFTLDFWHHTVMPP-GFCCVEGCSA-N
XLogP3.46
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92596531) is 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1c(-c2cccc(Cl)c2)[nH]n2c(=O)cc([C@@H](C)n3ccnc3)nc12.
What is the InChIKey of 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HFTLDFWHHTVMPP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-11-17(13-4-3-5-14(19)8-13)22-24-16(25)9-15(21-18(11)24)12(2)23-7-6-20-10-23/h3-10,12,22H,1-2H3/t12-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 353.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[(1R)-1-imidazol-1-ylethyl]-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92596531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).