2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

C14H17F3N4OS — CID 75375280

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCCC(NC(=O)Cn1nc(C)cc1C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H17F3N4OS/c1-4-10(13-19-11(7-23-13)14(15,16)17)18-12(22)6-21-9(3)5-8(2)20-21/h5,7,10H,4,6H2,1-3H3,(H,18,22)
InChIKeyQTUUQCVKCCAKRZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.24
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (PubChem CID 75375280) has the molecular formula C14H17F3N4OS and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
PubChem CID75375280
Molecular FormulaC14H17F3N4OS
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCCC(NC(=O)Cn1nc(C)cc1C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H17F3N4OS/c1-4-10(13-19-11(7-23-13)14(15,16)17)18-12(22)6-21-9(3)5-8(2)20-21/h5,7,10H,4,6H2,1-3H3,(H,18,22)
InChIKeyQTUUQCVKCCAKRZ-UHFFFAOYSA-N
XLogP3.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827587
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084055
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779791
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
1-[4-(4-Amino-thiazol-2-yl)-piperidin-1-yl]-2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 66956401
2-{1-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-thiazole-4-carboxylic acid hydroxyamide
CID 86703091
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051
1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
CID 71868743
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72114659

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (CID 75375280) is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is CCC(NC(=O)Cn1nc(C)cc1C)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The InChIKey is QTUUQCVKCCAKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4OS/c1-4-10(13-19-11(7-23-13)14(15,16)17)18-12(22)6-21-9(3)5-8(2)20-21/h5,7,10H,4,6H2,1-3H3,(H,18,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide has a molecular weight of 346.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is sourced from PubChem (CID 75375280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).