N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

C19H26FN3O2 — CID 94028971

IUPACN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC[C@H](C)Cn2nc(C)cc2C)cc1F
InChIInChI=1S/C19H26FN3O2/c1-13(12-23-15(3)9-14(2)22-23)11-21-19(24)8-6-16-5-7-18(25-4)17(20)10-16/h5,7,9-10,13H,6,8,11-12H2,1-4H3,(H,21,24)/t13-/m0/s1
InChIKeyPEZUOGIJJJKBGE-ZDUSSCGKSA-N
MW347.43 g/mol
LogP3.03
Rot. Bonds8

About N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 94028971) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID94028971
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC[C@H](C)Cn2nc(C)cc2C)cc1F
InChIInChI=1S/C19H26FN3O2/c1-13(12-23-15(3)9-14(2)22-23)11-21-19(24)8-6-16-5-7-18(25-4)17(20)10-16/h5,7,9-10,13H,6,8,11-12H2,1-4H3,(H,21,24)/t13-/m0/s1
InChIKeyPEZUOGIJJJKBGE-ZDUSSCGKSA-N
XLogP3.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120829586
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 94028959
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 71873153
(E)-3-(3,4-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]prop-2-enamide
CID 55744577
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-ethylguanidine;hydroiodide
CID 111200595
3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112805936
3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide
CID 55769053
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
benzyl N-[4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-4-oxobutyl]carbamate
CID 55844686
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 94028971) is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC[C@H](C)Cn2nc(C)cc2C)cc1F.
What is the InChIKey of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is PEZUOGIJJJKBGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13(12-23-15(3)9-14(2)22-23)11-21-19(24)8-6-16-5-7-18(25-4)17(20)10-16/h5,7,9-10,13H,6,8,11-12H2,1-4H3,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 347.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 94028971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).