2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

C19H19F2N3OS — CID 122244550

IUPAC2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCc1nn(CCNC(=O)Cc2ccc(F)cc2F)c(C)c1-c1cccs1
InChIInChI=1S/C19H19F2N3OS/c1-12-19(17-4-3-9-26-17)13(2)24(23-12)8-7-22-18(25)10-14-5-6-15(20)11-16(14)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,22,25)
InChIKeyUQLSHMNJWIUFQV-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.87
Rot. Bonds6

About 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 122244550) has the molecular formula C19H19F2N3OS and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID122244550
Molecular FormulaC19H19F2N3OS
Molecular Weight375.44 g/mol
Exact Mass375.12
IUPAC Name2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCc1nn(CCNC(=O)Cc2ccc(F)cc2F)c(C)c1-c1cccs1
InChIInChI=1S/C19H19F2N3OS/c1-12-19(17-4-3-9-26-17)13(2)24(23-12)8-7-22-18(25)10-14-5-6-15(20)11-16(14)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,22,25)
InChIKeyUQLSHMNJWIUFQV-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 122244565
1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122244568
N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 122244555
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122161661
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
CID 122163097
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 121169877
2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92572526
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 122161610
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121169574
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(2-hydroxyethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157024
2-(2-methylphenyl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 16672334

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (CID 122244550) is 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is Cc1nn(CCNC(=O)Cc2ccc(F)cc2F)c(C)c1-c1cccs1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is UQLSHMNJWIUFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS/c1-12-19(17-4-3-9-26-17)13(2)24(23-12)8-7-22-18(25)10-14-5-6-15(20)11-16(14)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,22,25).
What are the key properties of 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 375.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 122244550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).