3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride

C9H14ClF3N4O — CID 120873325

IUPAC3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccn(CC(F)(F)F)n1.Cl
InChIInChI=1S/C9H13F3N4O.ClH/c1-6(13)4-8(17)14-7-2-3-16(15-7)5-9(10,11)12;/h2-3,6H,4-5,13H2,1H3,(H,14,15,17);1H
InChIKeyABQPXHNKGZVMNN-UHFFFAOYSA-N
MW286.69 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride

3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride (PubChem CID 120873325) has the molecular formula C9H14ClF3N4O and a molecular weight of 286.69 g/mol. Its IUPAC name is 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride
PubChem CID120873325
Molecular FormulaC9H14ClF3N4O
Molecular Weight286.69 g/mol
Exact Mass286.08
IUPAC Name3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccn(CC(F)(F)F)n1.Cl
InChIInChI=1S/C9H13F3N4O.ClH/c1-6(13)4-8(17)14-7-2-3-16(15-7)5-9(10,11)12;/h2-3,6H,4-5,13H2,1H3,(H,14,15,17);1H
InChIKeyABQPXHNKGZVMNN-UHFFFAOYSA-N
XLogP1.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 75521665
1-(5-methyl-2-pyridinyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 99835817
N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 75509178
N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 75451889
(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 136585572
N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 115929500
2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propan-1-one
CID 118673377
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
CID 119341236
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
2-[3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]pyrazol-1-yl]acetic acid
CID 119231077
methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate
CID 119950382

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride (CID 120873325) is 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride is CC(N)CC(=O)Nc1ccn(CC(F)(F)F)n1.Cl.
What is the InChIKey of 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride?
The InChIKey is ABQPXHNKGZVMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O.ClH/c1-6(13)4-8(17)14-7-2-3-16(15-7)5-9(10,11)12;/h2-3,6H,4-5,13H2,1H3,(H,14,15,17);1H.
What are the key properties of 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride?
3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride has a molecular weight of 286.69 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 120873325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).