(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide

C20H20FN3O3 — CID 35579924

IUPAC(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCOc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FN3O3/c1-14(27-18-9-5-16(21)6-10-18)20(25)23-19-11-12-22-24(19)13-15-3-7-17(26-2)8-4-15/h3-12,14H,13H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyWNFBGGINZWLZSU-AWEZNQCLSA-N
MW369.40 g/mol
LogP3.49
Rot. Bonds7

About (2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide

(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 35579924) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID35579924
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCOc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FN3O3/c1-14(27-18-9-5-16(21)6-10-18)20(25)23-19-11-12-22-24(19)13-15-3-7-17(26-2)8-4-15/h3-12,14H,13H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyWNFBGGINZWLZSU-AWEZNQCLSA-N
XLogP3.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 51064444
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 45155158
(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-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)propanamide
CID 51248503
(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834957
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide (CID 35579924) is (2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide is COc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is WNFBGGINZWLZSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-14(27-18-9-5-16(21)6-10-18)20(25)23-19-11-12-22-24(19)13-15-3-7-17(26-2)8-4-15/h3-12,14H,13H2,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide?
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 369.40 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-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 35579924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).