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

C15H14FN3S — CID 43336614

IUPAC4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine
SMILESCc1ccsc1-c1nn(C)c(N)c1-c1cccc(F)c1
InChIInChI=1S/C15H14FN3S/c1-9-6-7-20-14(9)13-12(15(17)19(2)18-13)10-4-3-5-11(16)8-10/h3-8H,17H2,1-2H3
InChIKeyBDXVVUMMQOUKJL-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.85
Rot. Bonds2

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

4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine (PubChem CID 43336614) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine
PubChem CID43336614
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine
SMILESCc1ccsc1-c1nn(C)c(N)c1-c1cccc(F)c1
InChIInChI=1S/C15H14FN3S/c1-9-6-7-20-14(9)13-12(15(17)19(2)18-13)10-4-3-5-11(16)8-10/h3-8H,17H2,1-2H3
InChIKeyBDXVVUMMQOUKJL-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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Related Compounds

4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548
3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 80644808
3-tert-butyl-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158703
4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine
CID 104785963
5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 79431651
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 103163980
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 62831172
4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552622

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine?
The IUPAC name of 4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine (CID 43336614) is 4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine is Cc1ccsc1-c1nn(C)c(N)c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine?
The InChIKey is BDXVVUMMQOUKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-9-6-7-20-14(9)13-12(15(17)19(2)18-13)10-4-3-5-11(16)8-10/h3-8H,17H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine?
4-(3-fluorophenyl)-1-methyl-3-(3-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-(3-fluorophenyl)-1-methyl-3-(3-methylthiophen-2-yl)pyrazol-5-amine is sourced from PubChem (CID 43336614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).