(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide

C19H21N3O3 — CID 39834759

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)c1
InChIInChI=1S/C19H21N3O3/c1-13-9-14(2)11-17(10-13)25-15(3)19(23)21-18-6-7-20-22(18)12-16-5-4-8-24-16/h4-11,15H,12H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyBEKDQNAJDDOVHH-HNNXBMFYSA-N
MW339.40 g/mol
LogP3.55
Rot. Bonds6

About (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide

(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 39834759) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID39834759
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)c1
InChIInChI=1S/C19H21N3O3/c1-13-9-14(2)11-17(10-13)25-15(3)19(23)21-18-6-7-20-22(18)12-16-5-4-8-24-16/h4-11,15H,12H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyBEKDQNAJDDOVHH-HNNXBMFYSA-N
XLogP3.55
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834957
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35767629
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 51064444
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35673332
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
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)propanamide
CID 51248503
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39834952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide (CID 39834759) is (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide is Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)c1.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is BEKDQNAJDDOVHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-9-14(2)11-17(10-13)25-15(3)19(23)21-18-6-7-20-22(18)12-16-5-4-8-24-16/h4-11,15H,12H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide?
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 339.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 39834759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).