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

C15H14F3N7O — CID 46987271

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3nccc(C(F)(F)F)n3)cn2)n(C)n1
InChIInChI=1S/C15H14F3N7O/c1-9-5-12(24(2)23-9)22-13(26)8-25-7-10(6-20-25)14-19-4-3-11(21-14)15(16,17)18/h3-7H,8H2,1-2H3,(H,22,26)
InChIKeyDMYRHMMICFQBPT-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.04
Rot. Bonds4

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

N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide (PubChem CID 46987271) has the molecular formula C15H14F3N7O and a molecular weight of 365.32 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
PubChem CID46987271
Molecular FormulaC15H14F3N7O
Molecular Weight365.32 g/mol
Exact Mass365.12
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3nccc(C(F)(F)F)n3)cn2)n(C)n1
InChIInChI=1S/C15H14F3N7O/c1-9-5-12(24(2)23-9)22-13(26)8-25-7-10(6-20-25)14-19-4-3-11(21-14)15(16,17)18/h3-7H,8H2,1-2H3,(H,22,26)
InChIKeyDMYRHMMICFQBPT-UHFFFAOYSA-N
XLogP2.04
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69083959
N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69093445
US9932325, Example 22
CID 132244615
US9932325, Example 25
CID 132244616
US9932325, Example 149
CID 132244718
US11214565, Example D-14
CID 135374481
US11214565, Example D-101
CID 140943313
US11214565, Example D-159
CID 140943447
US11214565, Example D-100
CID 140943459
US11214565, Example D-76
CID 140943518
US11214565, Example D-160
CID 140943527
7-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8891832

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide (CID 46987271) is N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2cc(-c3nccc(C(F)(F)F)n3)cn2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The InChIKey is DMYRHMMICFQBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O/c1-9-5-12(24(2)23-9)22-13(26)8-25-7-10(6-20-25)14-19-4-3-11(21-14)15(16,17)18/h3-7H,8H2,1-2H3,(H,22,26).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide has a molecular weight of 365.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 46987271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).