N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide

C14H12F3N7O — CID 46994377

IUPACN-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCn1nccc1NC(=O)Cn1cc(-c2nccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H12F3N7O/c1-23-11(3-5-19-23)22-12(25)8-24-7-9(6-20-24)13-18-4-2-10(21-13)14(15,16)17/h2-7H,8H2,1H3,(H,22,25)
InChIKeyLSSXFRUBVSALNU-UHFFFAOYSA-N
MW351.29 g/mol
LogP1.73
Rot. Bonds4

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

N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide (PubChem CID 46994377) has the molecular formula C14H12F3N7O and a molecular weight of 351.29 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
PubChem CID46994377
Molecular FormulaC14H12F3N7O
Molecular Weight351.29 g/mol
Exact Mass351.11
IUPAC NameN-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCn1nccc1NC(=O)Cn1cc(-c2nccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H12F3N7O/c1-23-11(3-5-19-23)22-12(25)8-24-7-9(6-20-24)13-18-4-2-10(21-13)14(15,16)17/h2-7H,8H2,1H3,(H,22,25)
InChIKeyLSSXFRUBVSALNU-UHFFFAOYSA-N
XLogP1.73
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide (CID 46994377) is N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide is Cn1nccc1NC(=O)Cn1cc(-c2nccc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The InChIKey is LSSXFRUBVSALNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N7O/c1-23-11(3-5-19-23)22-12(25)8-24-7-9(6-20-24)13-18-4-2-10(21-13)14(15,16)17/h2-7H,8H2,1H3,(H,22,25).
What are the key properties of N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide has a molecular weight of 351.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 46994377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).