N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide

C19H20F3N5OS — CID 52915207

IUPACN-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
SMILESCCn1nc(C)cc1NC(=O)C(C)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C19H20F3N5OS/c1-4-27-16(9-11(2)26-27)25-17(28)12(3)13-5-7-14(8-6-13)23-18-24-15(10-29-18)19(20,21)22/h5-10,12H,4H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyNYBWLHGNVYUPCF-UHFFFAOYSA-N
MW423.46 g/mol
LogP5.17
Rot. Bonds6

About N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide

N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide (PubChem CID 52915207) has the molecular formula C19H20F3N5OS and a molecular weight of 423.46 g/mol. Its IUPAC name is N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
PubChem CID52915207
Molecular FormulaC19H20F3N5OS
Molecular Weight423.46 g/mol
Exact Mass423.13
IUPAC NameN-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
SMILESCCn1nc(C)cc1NC(=O)C(C)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C19H20F3N5OS/c1-4-27-16(9-11(2)26-27)25-17(28)12(3)13-5-7-14(8-6-13)23-18-24-15(10-29-18)19(20,21)22/h5-10,12H,4H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyNYBWLHGNVYUPCF-UHFFFAOYSA-N
XLogP5.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 71580328
N-(1-{1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24819278
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 118392840
N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide
CID 2100902
N-[4-(4-methyl-1,3-thiazol-2-yl)-2-phenylpyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 2123127
2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 4788851
(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134808461
1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135416948
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135526339
3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135532946
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155550023
1H-Pyrazole-1-acetamide, 5-methyl-N-(5-methyl-4-phenyl-2-thiazolyl)-3-(trifluoromethyl)-
CID 1222112

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
The IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide (CID 52915207) is N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
The canonical SMILES for N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide is CCn1nc(C)cc1NC(=O)C(C)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
The InChIKey is NYBWLHGNVYUPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c1-4-27-16(9-11(2)26-27)25-17(28)12(3)13-5-7-14(8-6-13)23-18-24-15(10-29-18)19(20,21)22/h5-10,12H,4H2,1-3H3,(H,23,24)(H,25,28).
What are the key properties of N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide has a molecular weight of 423.46 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 52915207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).