2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide

C14H15ClF2N4O2 — CID 172822546

IUPAC2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(N)c(-c2cc(Cl)ccc2OC(F)F)n1
InChIInChI=1S/C14H15ClF2N4O2/c1-20(2)12(22)7-21-6-10(18)13(19-21)9-5-8(15)3-4-11(9)23-14(16)17/h3-6,14H,7,18H2,1-2H3
InChIKeyUKMUNRBJAXAWEY-UHFFFAOYSA-N
MW344.75 g/mol
LogP2.48
Rot. Bonds5

About 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 172822546) has the molecular formula C14H15ClF2N4O2 and a molecular weight of 344.75 g/mol. Its IUPAC name is 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID172822546
Molecular FormulaC14H15ClF2N4O2
Molecular Weight344.75 g/mol
Exact Mass344.09
IUPAC Name2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(N)c(-c2cc(Cl)ccc2OC(F)F)n1
InChIInChI=1S/C14H15ClF2N4O2/c1-20(2)12(22)7-21-6-10(18)13(19-21)9-5-8(15)3-4-11(9)23-14(16)17/h3-6,14H,7,18H2,1-2H3
InChIKeyUKMUNRBJAXAWEY-UHFFFAOYSA-N
XLogP2.48
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135378802
3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazole-4-carboxamide
CID 118523131
(2Z)-3-amino-2-[amino(methylamino)methylidene]-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]pyrazol-4-yl]but-3-enamide
CID 118533879
1-(4-aminopiperidin-1-yl)-2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-ylpyrazol-1-yl]ethanone
CID 175197246
2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide
CID 86791806
N-[3-[2-(difluoromethoxy)-5-methylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142477399
(E)-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-(N,N'-dimethylcarbamimidoyl)but-2-enamide
CID 123369705
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140931663
2-(difluoromethoxy)-4-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzoic acid
CID 171382939
N-[1-[2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-5-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 140717756
2-[bis(methylamino)methylidene]-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-oxoethyl]pyrazol-4-yl]but-3-enamide
CID 155472409
N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135378777

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 172822546) is 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(N)c(-c2cc(Cl)ccc2OC(F)F)n1.
What is the InChIKey of 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is UKMUNRBJAXAWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N4O2/c1-20(2)12(22)7-21-6-10(18)13(19-21)9-5-8(15)3-4-11(9)23-14(16)17/h3-6,14H,7,18H2,1-2H3.
What are the key properties of 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 344.75 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 172822546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).