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

C12H13F2N3O2 — CID 117426026

IUPAC5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
SMILESCOc1cc(C(F)F)cc(-c2cc(N)n[nH]2)c1OC
InChIInChI=1S/C12H13F2N3O2/c1-18-9-4-6(12(13)14)3-7(11(9)19-2)8-5-10(15)17-16-8/h3-5,12H,1-2H3,(H3,15,16,17)
InChIKeyGAECIAUMWBNFNB-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.61
Rot. Bonds4

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

5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine (PubChem CID 117426026) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
PubChem CID117426026
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
SMILESCOc1cc(C(F)F)cc(-c2cc(N)n[nH]2)c1OC
InChIInChI=1S/C12H13F2N3O2/c1-18-9-4-6(12(13)14)3-7(11(9)19-2)8-5-10(15)17-16-8/h3-5,12H,1-2H3,(H3,15,16,17)
InChIKeyGAECIAUMWBNFNB-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

3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117455221
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117421240
5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine
CID 117342094
5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455938
5-(3-chloro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455942
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117482106
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine
CID 117414124
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117476497

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine (CID 117426026) is 5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine is COc1cc(C(F)F)cc(-c2cc(N)n[nH]2)c1OC.
What is the InChIKey of 5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine?
The InChIKey is GAECIAUMWBNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-18-9-4-6(12(13)14)3-7(11(9)19-2)8-5-10(15)17-16-8/h3-5,12H,1-2H3,(H3,15,16,17).
What are the key properties of 5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine?
5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-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 5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117426026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).