2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol

C13H12F3N5OS — CID 3694149

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(N)nc(N2N=C(c3cccs3)CC2(O)C(F)(F)F)n1
InChIInChI=1S/C13H12F3N5OS/c1-7-5-10(17)19-11(18-7)21-12(22,13(14,15)16)6-8(20-21)9-3-2-4-23-9/h2-5,22H,6H2,1H3,(H2,17,18,19)
InChIKeySNYZKCNRXGRMGH-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.29
Rot. Bonds2

About 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol

2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 3694149) has the molecular formula C13H12F3N5OS and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID3694149
Molecular FormulaC13H12F3N5OS
Molecular Weight343.33 g/mol
Exact Mass343.07
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(N)nc(N2N=C(c3cccs3)CC2(O)C(F)(F)F)n1
InChIInChI=1S/C13H12F3N5OS/c1-7-5-10(17)19-11(18-7)21-12(22,13(14,15)16)6-8(20-21)9-3-2-4-23-9/h2-5,22H,6H2,1H3,(H2,17,18,19)
InChIKeySNYZKCNRXGRMGH-UHFFFAOYSA-N
XLogP2.29
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 51525315
(3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 7243090
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4153150
2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol
CID 4963076
(3R)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 136677514
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 56724718
1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole
CID 122660577
2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 19587653
5-(4-bromophenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4873398
6-methyl-2-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylpyrimidin-4-amine
CID 95153739
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
4-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]benzenesulfonamide
CID 122189266

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 3694149) is 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol is Cc1cc(N)nc(N2N=C(c3cccs3)CC2(O)C(F)(F)F)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is SNYZKCNRXGRMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5OS/c1-7-5-10(17)19-11(18-7)21-12(22,13(14,15)16)6-8(20-21)9-3-2-4-23-9/h2-5,22H,6H2,1H3,(H2,17,18,19).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 343.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 3694149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).