4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine

C18H13FN4S — CID 1472862

IUPAC4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
SMILESNc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13FN4S/c19-14-8-6-12(7-9-14)15-10-21-23(17(15)20)18-22-16(11-24-18)13-4-2-1-3-5-13/h1-11H,20H2
InChIKeyXZORJNLMDFHEHK-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.38
Rot. Bonds3

About 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine

4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine (PubChem CID 1472862) has the molecular formula C18H13FN4S and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
PubChem CID1472862
Molecular FormulaC18H13FN4S
Molecular Weight336.40 g/mol
Exact Mass336.08
IUPAC Name4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
SMILESNc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13FN4S/c19-14-8-6-12(7-9-14)15-10-21-23(17(15)20)18-22-16(11-24-18)13-4-2-1-3-5-13/h1-11H,20H2
InChIKeyXZORJNLMDFHEHK-UHFFFAOYSA-N
XLogP4.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine
CID 1474438
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine
CID 126850275
6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole
CID 102435244
methyl 5-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxylate
CID 94962515
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
ethyl 5-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylate
CID 4140110
ethyl 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 3837157
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
5-amino-1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
CID 2086960
3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1472663
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine (CID 1472862) is 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine is Nc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The InChIKey is XZORJNLMDFHEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S/c19-14-8-6-12(7-9-14)15-10-21-23(17(15)20)18-22-16(11-24-18)13-4-2-1-3-5-13/h1-11H,20H2.
What are the key properties of 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine has a molecular weight of 336.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 1472862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).