2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide

C13H16ClN3O3 — CID 110901681

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
SMILESCc1nn(CC(=O)NCC(O)c2ccco2)c(C)c1Cl
InChIInChI=1S/C13H16ClN3O3/c1-8-13(14)9(2)17(16-8)7-12(19)15-6-10(18)11-4-3-5-20-11/h3-5,10,18H,6-7H2,1-2H3,(H,15,19)
InChIKeySOQXNOSGAOGBAA-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.60
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide (PubChem CID 110901681) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
PubChem CID110901681
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
SMILESCc1nn(CC(=O)NCC(O)c2ccco2)c(C)c1Cl
InChIInChI=1S/C13H16ClN3O3/c1-8-13(14)9(2)17(16-8)7-12(19)15-6-10(18)11-4-3-5-20-11/h3-5,10,18H,6-7H2,1-2H3,(H,15,19)
InChIKeySOQXNOSGAOGBAA-UHFFFAOYSA-N
XLogP1.60
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279440
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 56891070
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460706
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19525222
3-[[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]benzoic acid
CID 91644937
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide
CID 126428078
2-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methyltriazole-4-carboxamide
CID 78867509
N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
CID 119384557
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78868909

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide (CID 110901681) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide is Cc1nn(CC(=O)NCC(O)c2ccco2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The InChIKey is SOQXNOSGAOGBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-8-13(14)9(2)17(16-8)7-12(19)15-6-10(18)11-4-3-5-20-11/h3-5,10,18H,6-7H2,1-2H3,(H,15,19).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide has a molecular weight of 297.74 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 110901681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).