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

C17H21FN4O2 — CID 86997975

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCCNC(=O)CNC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C17H21FN4O2/c1-4-19-17(24)10-20-16(23)9-15-11(2)21-22(12(15)3)14-7-5-13(18)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,19,24)(H,20,23)
InChIKeySPOZDOPKYMYFEL-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.42
Rot. Bonds6

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

N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 86997975) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID86997975
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCCNC(=O)CNC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C17H21FN4O2/c1-4-19-17(24)10-20-16(23)9-15-11(2)21-22(12(15)3)14-7-5-13(18)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,19,24)(H,20,23)
InChIKeySPOZDOPKYMYFEL-UHFFFAOYSA-N
XLogP1.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884101
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoic acid
CID 119220770
N-[3-(aminomethyl)pentan-3-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119570615
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825769
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 47048127
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55912090
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 86997975) is N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is CCNC(=O)CNC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is SPOZDOPKYMYFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-4-19-17(24)10-20-16(23)9-15-11(2)21-22(12(15)3)14-7-5-13(18)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,19,24)(H,20,23).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 86997975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).