2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H15F3N4O — CID 107462971

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nn(C)cc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-3-7-8(5-17(2)16-7)14-4-9(18)15-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyXMIPGKYYAJSHNE-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.07
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107462971) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107462971
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nn(C)cc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-3-7-8(5-17(2)16-7)14-4-9(18)15-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyXMIPGKYYAJSHNE-UHFFFAOYSA-N
XLogP1.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]acetamide
CID 56869396
N-(cyclopropylmethyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]acetamide
CID 75448424
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]acetamide
CID 91840624
(2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide
CID 99836569
1-(2-Fluoroethyl)-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 132384581
2-[cyclopentyl(methyl)amino]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 132426762
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[[(1S,2S)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 164629892
(3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one
CID 164637732
N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530990
N-[(4S)-4-(4-amino-1-methylpyrazol-5-yl)azepan-4-yl]-2,2,2-trifluoroacetamide
CID 89479404
2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 90105005

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 107462971) is 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCc1nn(C)cc1NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XMIPGKYYAJSHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-3-7-8(5-17(2)16-7)14-4-9(18)15-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3,(H,15,18).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 264.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107462971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).