2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide

C11H10ClFN4O — CID 107363404

IUPAC2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide
SMILESNc1cnn(CC(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C11H10ClFN4O/c12-7-1-8(13)3-10(2-7)16-11(18)6-17-5-9(14)4-15-17/h1-5H,6,14H2,(H,16,18)
InChIKeyJRGIKUBNQQJTGN-UHFFFAOYSA-N
MW268.68 g/mol
LogP1.90
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide (PubChem CID 107363404) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide
PubChem CID107363404
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide
SMILESNc1cnn(CC(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C11H10ClFN4O/c12-7-1-8(13)3-10(2-7)16-11(18)6-17-5-9(14)4-15-17/h1-5H,6,14H2,(H,16,18)
InChIKeyJRGIKUBNQQJTGN-UHFFFAOYSA-N
XLogP1.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519
2-(4-aminopyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 43445342
2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81262636
2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 43445480
2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82857864
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide
CID 114258348
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502522
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
2-(4-aminopyrazol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 61117825
1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780082

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide (CID 107363404) is 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide is Nc1cnn(CC(=O)Nc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide?
The InChIKey is JRGIKUBNQQJTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c12-7-1-8(13)3-10(2-7)16-11(18)6-17-5-9(14)4-15-17/h1-5H,6,14H2,(H,16,18).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide has a molecular weight of 268.68 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide is sourced from PubChem (CID 107363404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).