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

C16H16F3N5O — CID 7243090

IUPAC(3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1ccc(C2=NN(c3cc(C)nc(N)n3)[C@](O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H16F3N5O/c1-9-3-5-11(6-4-9)12-8-15(25,16(17,18)19)24(23-12)13-7-10(2)21-14(20)22-13/h3-7,25H,8H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyGQKRUHJACASAEJ-OAHLLOKOSA-N
MW351.33 g/mol
LogP2.54
Rot. Bonds2

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

(3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 7243090) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is (3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name(3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID7243090
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC Name(3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1ccc(C2=NN(c3cc(C)nc(N)n3)[C@](O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H16F3N5O/c1-9-3-5-11(6-4-9)12-8-15(25,16(17,18)19)24(23-12)13-7-10(2)21-14(20)22-13/h3-7,25H,8H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyGQKRUHJACASAEJ-OAHLLOKOSA-N
XLogP2.54
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 3713594
2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4161269
(3R)-5-(4-methylphenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 7243114
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4153150
2-(8-amino-9H-[1,2,4]triazolo[4,3-d][1,2,4]triazepin-5-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 3362392
[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
CID 2916640
2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 3694149
2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 19582773
4-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]benzenesulfonamide
CID 122189266
2-(2,4-dichlorophenoxy)-1-[(5S)-5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 39347629
1-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
CID 46741922
[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone
CID 3147094

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of (3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 7243090) is (3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for (3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for (3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is Cc1ccc(C2=NN(c3cc(C)nc(N)n3)[C@](O)(C(F)(F)F)C2)cc1.
What is the InChIKey of (3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is GQKRUHJACASAEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3N5O/c1-9-3-5-11(6-4-9)12-8-15(25,16(17,18)19)24(23-12)13-7-10(2)21-14(20)22-13/h3-7,25H,8H2,1-2H3,(H2,20,21,22)/t15-/m1/s1.
What are the key properties of (3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
(3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 351.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(2-amino-6-methylpyrimidin-4-yl)-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 7243090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).