N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

C18H21FN4O2 — CID 46282436

IUPACN-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H21FN4O2/c1-13-10-17-22(8-3-9-23(17)21-13)18(25)7-6-16(24)20-12-14-4-2-5-15(19)11-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,20,24)
InChIKeyYVBQYJLEIHZNBY-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.16
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (PubChem CID 46282436) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
PubChem CID46282436
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H21FN4O2/c1-13-10-17-22(8-3-9-23(17)21-13)18(25)7-6-16(24)20-12-14-4-2-5-15(19)11-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,20,24)
InChIKeyYVBQYJLEIHZNBY-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (CID 46282436) is N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The InChIKey is YVBQYJLEIHZNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-10-17-22(8-3-9-23(17)21-13)18(25)7-6-16(24)20-12-14-4-2-5-15(19)11-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,20,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide has a molecular weight of 344.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 46282436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).