4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine

C12H11ClF3N3O — CID 43158906

IUPAC4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1ccc(Cl)cc1-c1c(C(F)(F)F)nn(C)c1N
InChIInChI=1S/C12H11ClF3N3O/c1-19-11(17)9(10(18-19)12(14,15)16)7-5-6(13)3-4-8(7)20-2/h3-5H,17H2,1-2H3
InChIKeyBNVOMRDZCZBIKN-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.35
Rot. Bonds2

About 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine

4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 43158906) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID43158906
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1ccc(Cl)cc1-c1c(C(F)(F)F)nn(C)c1N
InChIInChI=1S/C12H11ClF3N3O/c1-19-11(17)9(10(18-19)12(14,15)16)7-5-6(13)3-4-8(7)20-2/h3-5H,17H2,1-2H3
InChIKeyBNVOMRDZCZBIKN-UHFFFAOYSA-N
XLogP3.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 43158906) is 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is COc1ccc(Cl)cc1-c1c(C(F)(F)F)nn(C)c1N.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is BNVOMRDZCZBIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c1-19-11(17)9(10(18-19)12(14,15)16)7-5-6(13)3-4-8(7)20-2/h3-5H,17H2,1-2H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 305.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 43158906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).