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

C12H13F2N3O2 — CID 117426004

IUPAC4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(C(F)F)c(OC)cc1-c1cn[nH]c1N
InChIInChI=1S/C12H13F2N3O2/c1-18-9-4-7(11(13)14)10(19-2)3-6(9)8-5-16-17-12(8)15/h3-5,11H,1-2H3,(H3,15,16,17)
InChIKeyZJERRBSHZMMGRS-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.61
Rot. Bonds4

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

4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117426004) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
PubChem CID117426004
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(C(F)F)c(OC)cc1-c1cn[nH]c1N
InChIInChI=1S/C12H13F2N3O2/c1-18-9-4-7(11(13)14)10(19-2)3-6(9)8-5-16-17-12(8)15/h3-5,11H,1-2H3,(H3,15,16,17)
InChIKeyZJERRBSHZMMGRS-UHFFFAOYSA-N
XLogP2.61
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117417529
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117447752
2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol
CID 117390497
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methoxyphenol
CID 117319151
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117416880
4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117412553
4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
CID 117348168
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117346174
5-(5-amino-1H-pyrazol-4-yl)-2-tert-butyl-4-methoxyphenol
CID 117407750

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine (CID 117426004) is 4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine is COc1cc(C(F)F)c(OC)cc1-c1cn[nH]c1N.
What is the InChIKey of 4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is ZJERRBSHZMMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-18-9-4-7(11(13)14)10(19-2)3-6(9)8-5-16-17-12(8)15/h3-5,11H,1-2H3,(H3,15,16,17).
What are the key properties of 4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 269.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117426004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).