5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine

C12H14FN3O3 — CID 117421240

IUPAC5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(F)c(OC)c(-c2cc(N)n[nH]2)c1OC
InChIInChI=1S/C12H14FN3O3/c1-17-8-4-6(13)11(18-2)10(12(8)19-3)7-5-9(14)16-15-7/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyJPJRWZHWEVJQKV-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.82
Rot. Bonds4

About 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine

5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117421240) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
PubChem CID117421240
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(F)c(OC)c(-c2cc(N)n[nH]2)c1OC
InChIInChI=1S/C12H14FN3O3/c1-17-8-4-6(13)11(18-2)10(12(8)19-3)7-5-9(14)16-15-7/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyJPJRWZHWEVJQKV-UHFFFAOYSA-N
XLogP1.82
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455942
5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine
CID 117488856
5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455938
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine
CID 117416700
5-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117496845
5-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117422703
5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117476497
5-(2,4-dimethoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 3452215
5-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1H-pyrazol-3-amine
CID 117447594
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
CID 117426026

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine (CID 117421240) is 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine is COc1cc(F)c(OC)c(-c2cc(N)n[nH]2)c1OC.
What is the InChIKey of 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is JPJRWZHWEVJQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-17-8-4-6(13)11(18-2)10(12(8)19-3)7-5-9(14)16-15-7/h4-5H,1-3H3,(H3,14,15,16).
What are the key properties of 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine?
5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 267.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117421240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).