2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C15H17F3N4O2 — CID 70733601

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H17F3N4O2/c1-8-12(9(2)22-21-8)13(19)14(23)20-7-10-5-3-4-6-11(10)24-15(16,17)18/h3-6,13H,7,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQPEDVFVYYGOSBJ-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.24
Rot. Bonds5

About 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 70733601) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID70733601
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H17F3N4O2/c1-8-12(9(2)22-21-8)13(19)14(23)20-7-10-5-3-4-6-11(10)24-15(16,17)18/h3-6,13H,7,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQPEDVFVYYGOSBJ-UHFFFAOYSA-N
XLogP2.24
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 75515842
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
CID 72902119
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 94028861
1-(2-methyl-6-propan-2-ylphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817685
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 70733601) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is QPEDVFVYYGOSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-8-12(9(2)22-21-8)13(19)14(23)20-7-10-5-3-4-6-11(10)24-15(16,17)18/h3-6,13H,7,19H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 342.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 70733601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).