N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide

C19H17FN6O3 — CID 73339958

IUPACN-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide
SMILESC=C1C(=O)N=C(n2nc(C)cc2NC(=O)C(=O)NCc2ccc(F)cc2)N=C1C
InChIInChI=1S/C19H17FN6O3/c1-10-8-15(26(25-10)19-22-12(3)11(2)16(27)24-19)23-18(29)17(28)21-9-13-4-6-14(20)7-5-13/h4-8H,2,9H2,1,3H3,(H,21,28)(H,23,29)
InChIKeyHPOUYUTXWDGPPR-UHFFFAOYSA-N
MW396.38 g/mol
LogP1.35
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide (PubChem CID 73339958) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide
PubChem CID73339958
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide
SMILESC=C1C(=O)N=C(n2nc(C)cc2NC(=O)C(=O)NCc2ccc(F)cc2)N=C1C
InChIInChI=1S/C19H17FN6O3/c1-10-8-15(26(25-10)19-22-12(3)11(2)16(27)24-19)23-18(29)17(28)21-9-13-4-6-14(20)7-5-13/h4-8H,2,9H2,1,3H3,(H,21,28)(H,23,29)
InChIKeyHPOUYUTXWDGPPR-UHFFFAOYSA-N
XLogP1.35
TPSA117.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339957
N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
CID 78715153
4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 73451704
N-[(4-chlorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954061
N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339996
(E)-3-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]prop-2-enamide
CID 167997407
2-methyl-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 78715121
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 73339871
N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 73451706
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440
N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339901
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 60573872

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide (CID 73339958) is N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide is C=C1C(=O)N=C(n2nc(C)cc2NC(=O)C(=O)NCc2ccc(F)cc2)N=C1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide?
The InChIKey is HPOUYUTXWDGPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c1-10-8-15(26(25-10)19-22-12(3)11(2)16(27)24-19)23-18(29)17(28)21-9-13-4-6-14(20)7-5-13/h4-8H,2,9H2,1,3H3,(H,21,28)(H,23,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide has a molecular weight of 396.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 73339958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).