N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

C18H21FN4O2 — CID 20928968

IUPACN-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H21FN4O2/c1-13-11-17-22(18(25)8-10-23(17)21-13)9-4-7-16(24)20-12-14-5-2-3-6-15(14)19/h2-3,5-6,11H,4,7-10,12H2,1H3,(H,20,24)
InChIKeyWPCJJRJSQKREAW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.16
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 20928968) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID20928968
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H21FN4O2/c1-13-11-17-22(18(25)8-10-23(17)21-13)9-4-7-16(24)20-12-14-5-2-3-6-15(14)19/h2-3,5-6,11H,4,7-10,12H2,1H3,(H,20,24)
InChIKeyWPCJJRJSQKREAW-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 20928968) is N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is WPCJJRJSQKREAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-11-17-22(18(25)8-10-23(17)21-13)9-4-7-16(24)20-12-14-5-2-3-6-15(14)19/h2-3,5-6,11H,4,7-10,12H2,1H3,(H,20,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 344.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 20928968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).