3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide

C19H20FN5O2 — CID 135885893

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccccc3F)c2C)n1
InChIInChI=1S/C19H20FN5O2/c1-11-10-18(27)23-19(21-11)25-13(3)14(12(2)24-25)8-9-17(26)22-16-7-5-4-6-15(16)20/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyNRLZMTJEBGRAKO-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.59
Rot. Bonds5

About 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 135885893) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide
PubChem CID135885893
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccccc3F)c2C)n1
InChIInChI=1S/C19H20FN5O2/c1-11-10-18(27)23-19(21-11)25-13(3)14(12(2)24-25)8-9-17(26)22-16-7-5-4-6-15(16)20/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyNRLZMTJEBGRAKO-UHFFFAOYSA-N
XLogP2.59
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide (CID 135885893) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccccc3F)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is NRLZMTJEBGRAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-11-10-18(27)23-19(21-11)25-13(3)14(12(2)24-25)8-9-17(26)22-16-7-5-4-6-15(16)20/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,23,27).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 369.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 135885893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).