N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide

C19H19F3N4O3S — CID 172797504

IUPACN-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1sc(C(O)c2cccc(C(F)(F)F)c2)nc1C(C)(C)O
InChIInChI=1S/C19H19F3N4O3S/c1-18(2,29)14-17(25-15(28)12-7-8-23-26(12)3)30-16(24-14)13(27)10-5-4-6-11(9-10)19(20,21)22/h4-9,13,27,29H,1-3H3,(H,25,28)
InChIKeyQKGJOCDCHVVPDL-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.46
Rot. Bonds5

About N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide

N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 172797504) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
PubChem CID172797504
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC NameN-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1sc(C(O)c2cccc(C(F)(F)F)c2)nc1C(C)(C)O
InChIInChI=1S/C19H19F3N4O3S/c1-18(2,29)14-17(25-15(28)12-7-8-23-26(12)3)30-16(24-14)13(27)10-5-4-6-11(9-10)19(20,21)22/h4-9,13,27,29H,1-3H3,(H,25,28)
InChIKeyQKGJOCDCHVVPDL-UHFFFAOYSA-N
XLogP3.46
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide (CID 172797504) is N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1sc(C(O)c2cccc(C(F)(F)F)c2)nc1C(C)(C)O.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is QKGJOCDCHVVPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-18(2,29)14-17(25-15(28)12-7-8-23-26(12)3)30-16(24-14)13(27)10-5-4-6-11(9-10)19(20,21)22/h4-9,13,27,29H,1-3H3,(H,25,28).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 172797504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).