3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

C15H20FN3O — CID 102883361

IUPAC3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCOc1ccc(-c2nn(C)c(N)c2CC(C)C)c(F)c1
InChIInChI=1S/C15H20FN3O/c1-9(2)7-12-14(18-19(3)15(12)17)11-6-5-10(20-4)8-13(11)16/h5-6,8-9H,7,17H2,1-4H3
InChIKeyAYFFWQNHOOFPTQ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.02
Rot. Bonds4

About 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (PubChem CID 102883361) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
PubChem CID102883361
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCOc1ccc(-c2nn(C)c(N)c2CC(C)C)c(F)c1
InChIInChI=1S/C15H20FN3O/c1-9(2)7-12-14(18-19(3)15(12)17)11-6-5-10(20-4)8-13(11)16/h5-6,8-9H,7,17H2,1-4H3
InChIKeyAYFFWQNHOOFPTQ-UHFFFAOYSA-N
XLogP3.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 115369365
3-(2,4-dimethoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670816
3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 53418218
3-(2-methoxy-3-pyridinyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 62874645
3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 114373232
3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81110742
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
CID 171382899
3-(2-fluoro-4-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridazin-4-one
CID 145267088
1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine
CID 63081015
3-(2-fluoro-4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 102885855
5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 46105032

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (CID 102883361) is 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is COc1ccc(-c2nn(C)c(N)c2CC(C)C)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is AYFFWQNHOOFPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-9(2)7-12-14(18-19(3)15(12)17)11-6-5-10(20-4)8-13(11)16/h5-6,8-9H,7,17H2,1-4H3.
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 277.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 102883361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).