4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine

C11H10F3N3O — CID 117395723

IUPAC4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1c(F)cc(C(F)F)cc1-c1cn[nH]c1N
InChIInChI=1S/C11H10F3N3O/c1-18-9-6(7-4-16-17-11(7)15)2-5(10(13)14)3-8(9)12/h2-4,10H,1H3,(H3,15,16,17)
InChIKeyWPPBORAHAZGJHX-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.74
Rot. Bonds3

About 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine

4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117395723) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
PubChem CID117395723
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1c(F)cc(C(F)F)cc1-c1cn[nH]c1N
InChIInChI=1S/C11H10F3N3O/c1-18-9-6(7-4-16-17-11(7)15)2-5(10(13)14)3-8(9)12/h2-4,10H,1H3,(H3,15,16,17)
InChIKeyWPPBORAHAZGJHX-UHFFFAOYSA-N
XLogP2.74
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117350162
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine
CID 117319233
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426004
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494952
4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117459290
4-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-amine
CID 117401937

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine (CID 117395723) is 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine is COc1c(F)cc(C(F)F)cc1-c1cn[nH]c1N.
What is the InChIKey of 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is WPPBORAHAZGJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-18-9-6(7-4-16-17-11(7)15)2-5(10(13)14)3-8(9)12/h2-4,10H,1H3,(H3,15,16,17).
What are the key properties of 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine?
4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 257.21 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117395723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).