2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide

C19H19F3N6O2 — CID 151309974

IUPAC2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)(c1ccc(C)c(-c2cnc(N)c(-c3cnn(C)c3)n2)c1)C(F)(F)F
InChIInChI=1S/C19H19F3N6O2/c1-10-4-5-12(18(30,17(29)24-2)19(20,21)22)6-13(10)14-8-25-16(23)15(27-14)11-7-26-28(3)9-11/h4-9,30H,1-3H3,(H2,23,25)(H,24,29)
InChIKeyOEFSGRUELWCNRD-UHFFFAOYSA-N
MW420.40 g/mol
LogP1.93
Rot. Bonds4

About 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide

2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide (PubChem CID 151309974) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide
PubChem CID151309974
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)(c1ccc(C)c(-c2cnc(N)c(-c3cnn(C)c3)n2)c1)C(F)(F)F
InChIInChI=1S/C19H19F3N6O2/c1-10-4-5-12(18(30,17(29)24-2)19(20,21)22)6-13(10)14-8-25-16(23)15(27-14)11-7-26-28(3)9-11/h4-9,30H,1-3H3,(H2,23,25)(H,24,29)
InChIKeyOEFSGRUELWCNRD-UHFFFAOYSA-N
XLogP1.93
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-(2-hydroxypropan-2-yl)-2-phenylpyridin-3-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393469
US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 128
CID 138561669
US10738057, Example 255
CID 138619343
US11046658, Example 107
CID 147233579
US11046658, Example 110
CID 148017736
US11046658, Example 98
CID 148590503
US11046658, Example 7
CID 149380624
US11046658, Example 69
CID 149547652
US11046658, Example 64
CID 149648297

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide?
The IUPAC name of 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide (CID 151309974) is 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide is CNC(=O)C(O)(c1ccc(C)c(-c2cnc(N)c(-c3cnn(C)c3)n2)c1)C(F)(F)F.
What is the InChIKey of 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide?
The InChIKey is OEFSGRUELWCNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-10-4-5-12(18(30,17(29)24-2)19(20,21)22)6-13(10)14-8-25-16(23)15(27-14)11-7-26-28(3)9-11/h4-9,30H,1-3H3,(H2,23,25)(H,24,29).
What are the key properties of 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide?
2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide has a molecular weight of 420.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 151309974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).