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

C18H19FN4OS — CID 86825769

IUPAC2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)s1
InChIInChI=1S/C18H19FN4OS/c1-11-17(8-18(24)21-10-16-9-20-13(3)25-16)12(2)23(22-11)15-6-4-14(19)5-7-15/h4-7,9H,8,10H2,1-3H3,(H,21,24)
InChIKeyKBCAVDCCXRRYLW-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.25
Rot. Bonds5

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

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 86825769) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID86825769
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)s1
InChIInChI=1S/C18H19FN4OS/c1-11-17(8-18(24)21-10-16-9-20-13(3)25-16)12(2)23(22-11)15-6-4-14(19)5-7-15/h4-7,9H,8,10H2,1-3H3,(H,21,24)
InChIKeyKBCAVDCCXRRYLW-UHFFFAOYSA-N
XLogP3.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86836141
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 47048127
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249342
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55756579
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008464
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 55760355
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884101

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 86825769) is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncc(CNC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)s1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is KBCAVDCCXRRYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-11-17(8-18(24)21-10-16-9-20-13(3)25-16)12(2)23(22-11)15-6-4-14(19)5-7-15/h4-7,9H,8,10H2,1-3H3,(H,21,24).
What are the key properties of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 86825769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).