2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide

C15H18F3N5O2 — CID 97443674

IUPAC2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cnc(C)[nH]c2=O)n1
InChIInChI=1S/C15H18F3N5O2/c1-8(7-23-12(15(16,17)18)4-9(2)22-23)5-20-13(24)11-6-19-10(3)21-14(11)25/h4,6,8H,5,7H2,1-3H3,(H,20,24)(H,19,21,25)/t8-/m0/s1
InChIKeyOLJFOIHBHDRURB-QMMMGPOBSA-N
MW357.34 g/mol
LogP1.67
Rot. Bonds5

About 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97443674) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97443674
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cnc(C)[nH]c2=O)n1
InChIInChI=1S/C15H18F3N5O2/c1-8(7-23-12(15(16,17)18)4-9(2)22-23)5-20-13(24)11-6-19-10(3)21-14(11)25/h4,6,8H,5,7H2,1-3H3,(H,20,24)(H,19,21,25)/t8-/m0/s1
InChIKeyOLJFOIHBHDRURB-QMMMGPOBSA-N
XLogP1.67
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97443674) is 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cnc(C)[nH]c2=O)n1.
What is the InChIKey of 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OLJFOIHBHDRURB-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-8(7-23-12(15(16,17)18)4-9(2)22-23)5-20-13(24)11-6-19-10(3)21-14(11)25/h4,6,8H,5,7H2,1-3H3,(H,20,24)(H,19,21,25)/t8-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97443674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).