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

C19H21N3O3 — CID 56891070

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCC(O)c1ccco1
InChIInChI=1S/C19H21N3O3/c1-13-16(14(2)22(21-13)15-7-4-3-5-8-15)11-19(24)20-12-17(23)18-9-6-10-25-18/h3-10,17,23H,11-12H2,1-2H3,(H,20,24)
InChIKeyBWTOKMXKUIMULM-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.47
Rot. Bonds6

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

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide (PubChem CID 56891070) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
PubChem CID56891070
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCC(O)c1ccco1
InChIInChI=1S/C19H21N3O3/c1-13-16(14(2)22(21-13)15-7-4-3-5-8-15)11-19(24)20-12-17(23)18-9-6-10-25-18/h3-10,17,23H,11-12H2,1-2H3,(H,20,24)
InChIKeyBWTOKMXKUIMULM-UHFFFAOYSA-N
XLogP2.47
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
CID 163307933
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
CID 89224809
CID 89224809
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 37217772
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436282
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55934209
(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide
CID 9470539
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110901681

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide (CID 56891070) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC(O)c1ccco1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The InChIKey is BWTOKMXKUIMULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-16(14(2)22(21-13)15-7-4-3-5-8-15)11-19(24)20-12-17(23)18-9-6-10-25-18/h3-10,17,23H,11-12H2,1-2H3,(H,20,24).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide has a molecular weight of 339.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 56891070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).