4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine

C13H15F2N3O — CID 117421303

IUPAC4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(C(C)(F)F)cc1-c1cnn(C)c1N
InChIInChI=1S/C13H15F2N3O/c1-13(14,15)8-4-5-11(19-3)9(6-8)10-7-17-18(2)12(10)16/h4-7H,16H2,1-3H3
InChIKeyYPPRSOWPQGDGSS-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.79
Rot. Bonds3

About 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine

4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine (PubChem CID 117421303) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
PubChem CID117421303
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(C(C)(F)F)cc1-c1cnn(C)c1N
InChIInChI=1S/C13H15F2N3O/c1-13(14,15)8-4-5-11(19-3)9(6-8)10-7-17-18(2)12(10)16/h4-7H,16H2,1-3H3
InChIKeyYPPRSOWPQGDGSS-UHFFFAOYSA-N
XLogP2.79
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117473364
4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117380822
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919
4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117433956
4-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117431595
4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422678
4-(2-methoxy-5-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
CID 117465938
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 115112521
5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
CID 117338196
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117441268
4-(3-methoxy-2-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376786

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine (CID 117421303) is 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine is COc1ccc(C(C)(F)F)cc1-c1cnn(C)c1N.
What is the InChIKey of 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine?
The InChIKey is YPPRSOWPQGDGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-13(14,15)8-4-5-11(19-3)9(6-8)10-7-17-18(2)12(10)16/h4-7H,16H2,1-3H3.
What are the key properties of 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine?
4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine has a molecular weight of 267.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117421303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).