2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O — CID 62114074

IUPAC2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H17F3N4O/c1-2-3-5-17(8-11(12,13)14)10(19)7-18-6-4-9(15)16-18/h4,6H,2-3,5,7-8H2,1H3,(H2,15,16)
InChIKeyGDTAUMJJHUGCTP-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.66
Rot. Bonds6

About 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide

2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62114074) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62114074
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H17F3N4O/c1-2-3-5-17(8-11(12,13)14)10(19)7-18-6-4-9(15)16-18/h4,6H,2-3,5,7-8H2,1H3,(H2,15,16)
InChIKeyGDTAUMJJHUGCTP-UHFFFAOYSA-N
XLogP1.66
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1H-pyrazol-1-yl)acetamide
CID 45791969
2-(3-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 47003138
2-(3-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 60783095
3-[(1-Methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 71981220
2-(3-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 54594517
2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide
CID 30541643
2-(3-amino-1H-pyrazol-1-yl)-N-ethylacetamide
CID 50987965
2-(3-amino-1H-pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 53621876
4-(3-amino-1H-pyrazol-1-yl)-N,N-dimethylbutanamide
CID 54593862
3-[3-[[2-(Diethylamino)acetyl]amino]pyrazol-1-yl]propanamide
CID 72010495
1-Pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
CID 86795461
(2S)-N-prop-2-ynyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 97816231

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide (CID 62114074) is 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GDTAUMJJHUGCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-2-3-5-17(8-11(12,13)14)10(19)7-18-6-4-9(15)16-18/h4,6H,2-3,5,7-8H2,1H3,(H2,15,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62114074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).