N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H20F3N5O — CID 4771530

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nn(C)cc1CN(C)C(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H20F3N5O/c1-9-6-13(15(16,17)18)20-23(9)11(3)14(24)21(4)7-12-8-22(5)19-10(12)2/h6,8,11H,7H2,1-5H3
InChIKeyVVRUVRAFNBKNQV-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.47
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4771530) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4771530
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nn(C)cc1CN(C)C(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H20F3N5O/c1-9-6-13(15(16,17)18)20-23(9)11(3)14(24)21(4)7-12-8-22(5)19-10(12)2/h6,8,11H,7H2,1-5H3
InChIKeyVVRUVRAFNBKNQV-UHFFFAOYSA-N
XLogP2.47
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4771530) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1nn(C)cc1CN(C)C(=O)C(C)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is VVRUVRAFNBKNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-9-6-13(15(16,17)18)20-23(9)11(3)14(24)21(4)7-12-8-22(5)19-10(12)2/h6,8,11H,7H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 343.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 4771530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).