2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide

C11H17F3N4O — CID 119796075

IUPAC2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H17F3N4O/c1-3-7(2)9(15)10(19)17-8-4-16-18(5-8)6-11(12,13)14/h4-5,7,9H,3,6,15H2,1-2H3,(H,17,19)
InChIKeyGVMOFLAOXGJYPD-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide

2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide (PubChem CID 119796075) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
PubChem CID119796075
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H17F3N4O/c1-3-7(2)9(15)10(19)17-8-4-16-18(5-8)6-11(12,13)14/h4-5,7,9H,3,6,15H2,1-2H3,(H,17,19)
InChIKeyGVMOFLAOXGJYPD-UHFFFAOYSA-N
XLogP1.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119796068
(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 97226410
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylpentanamide;hydrochloride
CID 119800873
2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278322
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278313
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide (CID 119796075) is 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide is CCC(C)C(N)C(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide?
The InChIKey is GVMOFLAOXGJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-7(2)9(15)10(19)17-8-4-16-18(5-8)6-11(12,13)14/h4-5,7,9H,3,6,15H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide?
2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide has a molecular weight of 278.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide is sourced from PubChem (CID 119796075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).