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

C19H19F2N5O2 — CID 135885898

IUPACN-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(F)c(F)c3)c2C)n1
InChIInChI=1S/C19H19F2N5O2/c1-10-8-18(28)24-19(22-10)26-12(3)14(11(2)25-26)5-7-17(27)23-13-4-6-15(20)16(21)9-13/h4,6,8-9H,5,7H2,1-3H3,(H,23,27)(H,22,24,28)
InChIKeyXZPQVXFGXOBXMJ-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.73
Rot. Bonds5

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

N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide (PubChem CID 135885898) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
PubChem CID135885898
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC NameN-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(F)c(F)c3)c2C)n1
InChIInChI=1S/C19H19F2N5O2/c1-10-8-18(28)24-19(22-10)26-12(3)14(11(2)25-26)5-7-17(27)23-13-4-6-15(20)16(21)9-13/h4,6,8-9H,5,7H2,1-3H3,(H,23,27)(H,22,24,28)
InChIKeyXZPQVXFGXOBXMJ-UHFFFAOYSA-N
XLogP2.73
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide (CID 135885898) is N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(F)c(F)c3)c2C)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The InChIKey is XZPQVXFGXOBXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-10-8-18(28)24-19(22-10)26-12(3)14(11(2)25-26)5-7-17(27)23-13-4-6-15(20)16(21)9-13/h4,6,8-9H,5,7H2,1-3H3,(H,23,27)(H,22,24,28).
What are the key properties of N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide has a molecular weight of 387.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 135885898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).