5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide

C13H12F5N5O2 — CID 137128034

IUPAC5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NCC(F)(F)C(F)(F)F)c2C)n1
InChIInChI=1S/C13H12F5N5O2/c1-6-3-9(24)22-11(21-6)23-7(2)8(4-20-23)10(25)19-5-12(14,15)13(16,17)18/h3-4H,5H2,1-2H3,(H,19,25)(H,21,22,24)
InChIKeyMKSQCXIKBDRCPZ-UHFFFAOYSA-N
MW365.26 g/mol
LogP1.50
Rot. Bonds4

About 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide

5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide (PubChem CID 137128034) has the molecular formula C13H12F5N5O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide
PubChem CID137128034
Molecular FormulaC13H12F5N5O2
Molecular Weight365.26 g/mol
Exact Mass365.09
IUPAC Name5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NCC(F)(F)C(F)(F)F)c2C)n1
InChIInChI=1S/C13H12F5N5O2/c1-6-3-9(24)22-11(21-6)23-7(2)8(4-20-23)10(25)19-5-12(14,15)13(16,17)18/h3-4H,5H2,1-2H3,(H,19,25)(H,21,22,24)
InChIKeyMKSQCXIKBDRCPZ-UHFFFAOYSA-N
XLogP1.50
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide (CID 137128034) is 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide is Cc1cc(=O)[nH]c(-n2ncc(C(=O)NCC(F)(F)C(F)(F)F)c2C)n1.
What is the InChIKey of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide?
The InChIKey is MKSQCXIKBDRCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5N5O2/c1-6-3-9(24)22-11(21-6)23-7(2)8(4-20-23)10(25)19-5-12(14,15)13(16,17)18/h3-4H,5H2,1-2H3,(H,19,25)(H,21,22,24).
What are the key properties of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide?
5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-(2,2,3,3,3-pentafluoropropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 137128034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).