(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide

C19H21N3O3 — CID 39834957

IUPAC(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCCc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)cc1
InChIInChI=1S/C19H21N3O3/c1-3-15-6-8-16(9-7-15)25-14(2)19(23)21-18-10-11-20-22(18)13-17-5-4-12-24-17/h4-12,14H,3,13H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyCNGMKGWEOPKTBC-AWEZNQCLSA-N
MW339.39 g/mol
LogP3.49
Rot. Bonds7

About (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide

(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 39834957) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID39834957
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCCc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)cc1
InChIInChI=1S/C19H21N3O3/c1-3-15-6-8-16(9-7-15)25-14(2)19(23)21-18-10-11-20-22(18)13-17-5-4-12-24-17/h4-12,14H,3,13H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyCNGMKGWEOPKTBC-AWEZNQCLSA-N
XLogP3.49
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834759
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 51064444
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35767629
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 35767660
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide (CID 39834957) is (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide is CCc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is CNGMKGWEOPKTBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-15-6-8-16(9-7-15)25-14(2)19(23)21-18-10-11-20-22(18)13-17-5-4-12-24-17/h4-12,14H,3,13H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide?
(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 339.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 39834957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).