4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine

C11H12FN3O2 — CID 117346174

IUPAC4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(OC)c(F)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C11H12FN3O2/c1-16-6-3-7(8-5-14-15-11(8)13)10(12)9(4-6)17-2/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyLKHPAUJGVDESBI-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.82
Rot. Bonds3

About 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine

4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 117346174) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
PubChem CID117346174
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(OC)c(F)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C11H12FN3O2/c1-16-6-3-7(8-5-14-15-11(8)13)10(12)9(4-6)17-2/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyLKHPAUJGVDESBI-UHFFFAOYSA-N
XLogP1.82
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine (CID 117346174) is 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine is COc1cc(OC)c(F)c(-c2cn[nH]c2N)c1.
What is the InChIKey of 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is LKHPAUJGVDESBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-16-6-3-7(8-5-14-15-11(8)13)10(12)9(4-6)17-2/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 237.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117346174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).