4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine

C15H14FN3S — CID 43336495

IUPAC4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2ccc(F)cc2)s1
InChIInChI=1S/C15H14FN3S/c1-9-3-8-12(20-9)14-13(15(17)19(2)18-14)10-4-6-11(16)7-5-10/h3-8H,17H2,1-2H3
InChIKeyWZCVRWNXPDHHFF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.85
Rot. Bonds2

About 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine

4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine (PubChem CID 43336495) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine
PubChem CID43336495
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2ccc(F)cc2)s1
InChIInChI=1S/C15H14FN3S/c1-9-3-8-12(20-9)14-13(15(17)19(2)18-14)10-4-6-11(16)7-5-10/h3-8H,17H2,1-2H3
InChIKeyWZCVRWNXPDHHFF-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine (CID 43336495) is 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine is Cc1ccc(-c2nn(C)c(N)c2-c2ccc(F)cc2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The InChIKey is WZCVRWNXPDHHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-9-3-8-12(20-9)14-13(15(17)19(2)18-14)10-4-6-11(16)7-5-10/h3-8H,17H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine has a molecular weight of 287.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine is sourced from PubChem (CID 43336495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).