4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine

C13H15F2N3O2 — CID 117455217

IUPAC4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(C(C)(F)F)cc(-c2cn[nH]c2N)c1OC
InChIInChI=1S/C13H15F2N3O2/c1-13(14,15)7-4-8(9-6-17-18-12(9)16)11(20-3)10(5-7)19-2/h4-6H,1-3H3,(H3,16,17,18)
InChIKeyVIXYXHNVMVOTOL-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.79
Rot. Bonds4

About 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine

4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117455217) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
PubChem CID117455217
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(C(C)(F)F)cc(-c2cn[nH]c2N)c1OC
InChIInChI=1S/C13H15F2N3O2/c1-13(14,15)7-4-8(9-6-17-18-12(9)16)11(20-3)10(5-7)19-2/h4-6H,1-3H3,(H3,16,17,18)
InChIKeyVIXYXHNVMVOTOL-UHFFFAOYSA-N
XLogP2.79
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117447752
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117473364
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-amine
CID 117401937
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449841
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117350162
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine (CID 117455217) is 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine is COc1cc(C(C)(F)F)cc(-c2cn[nH]c2N)c1OC.
What is the InChIKey of 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is VIXYXHNVMVOTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-13(14,15)7-4-8(9-6-17-18-12(9)16)11(20-3)10(5-7)19-2/h4-6H,1-3H3,(H3,16,17,18).
What are the key properties of 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine?
4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 283.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117455217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).