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

C15H18F3N5O — CID 4082705

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cnn1C
InChIInChI=1S/C15H18F3N5O/c1-9-11(7-20-22(9)2)6-19-14(24)8-23-12(10-3-4-10)5-13(21-23)15(16,17)18/h5,7,10H,3-4,6,8H2,1-2H3,(H,19,24)
InChIKeyWCKXCAHGOCTZAW-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.14
Rot. Bonds5

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 4082705) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID4082705
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cnn1C
InChIInChI=1S/C15H18F3N5O/c1-9-11(7-20-22(9)2)6-19-14(24)8-23-12(10-3-4-10)5-13(21-23)15(16,17)18/h5,7,10H,3-4,6,8H2,1-2H3,(H,19,24)
InChIKeyWCKXCAHGOCTZAW-UHFFFAOYSA-N
XLogP2.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 4082705) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is Cc1c(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cnn1C.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is WCKXCAHGOCTZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9-11(7-20-22(9)2)6-19-14(24)8-23-12(10-3-4-10)5-13(21-23)15(16,17)18/h5,7,10H,3-4,6,8H2,1-2H3,(H,19,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 4082705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).