6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H18ClFN4O2 — CID 3236192

IUPAC6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H18ClFN4O2/c1-11-14(8-12-4-5-13(21)9-16(12)20)19(27)25-17(23-11)15(10-22-25)18(26)24-6-2-3-7-24/h4-5,9-10,22H,2-3,6-8H2,1H3
InChIKeyCLNGFRIXBDLVBJ-UHFFFAOYSA-N
MW388.83 g/mol
LogP2.95
Rot. Bonds3

About 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 3236192) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID3236192
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H18ClFN4O2/c1-11-14(8-12-4-5-13(21)9-16(12)20)19(27)25-17(23-11)15(10-22-25)18(26)24-6-2-3-7-24/h4-5,9-10,22H,2-3,6-8H2,1H3
InChIKeyCLNGFRIXBDLVBJ-UHFFFAOYSA-N
XLogP2.95
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 3236192) is 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccc(F)cc1Cl.
What is the InChIKey of 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CLNGFRIXBDLVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c1-11-14(8-12-4-5-13(21)9-16(12)20)19(27)25-17(23-11)15(10-22-25)18(26)24-6-2-3-7-24/h4-5,9-10,22H,2-3,6-8H2,1H3.
What are the key properties of 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 388.83 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 3236192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).