N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

C23H26FN3O2 — CID 71873153

IUPACN-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2ccc(-n3nc(C)cc3C)cc2)cc1F
InChIInChI=1S/C23H26FN3O2/c1-15-13-16(2)27(26-15)20-9-7-19(8-10-20)17(3)25-23(28)12-6-18-5-11-22(29-4)21(24)14-18/h5,7-11,13-14,17H,6,12H2,1-4H3,(H,25,28)
InChIKeyVTVRPWDOCCHQCM-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.45
Rot. Bonds7

About N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 71873153) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID71873153
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2ccc(-n3nc(C)cc3C)cc2)cc1F
InChIInChI=1S/C23H26FN3O2/c1-15-13-16(2)27(26-15)20-9-7-19(8-10-20)17(3)25-23(28)12-6-18-5-11-22(29-4)21(24)14-18/h5,7-11,13-14,17H,6,12H2,1-4H3,(H,25,28)
InChIKeyVTVRPWDOCCHQCM-UHFFFAOYSA-N
XLogP4.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112805936
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
CID 119894668
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 94028971
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
CID 134055920
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylacetamide
CID 97031370

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 71873153) is N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(C)c2ccc(-n3nc(C)cc3C)cc2)cc1F.
What is the InChIKey of N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is VTVRPWDOCCHQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15-13-16(2)27(26-15)20-9-7-19(8-10-20)17(3)25-23(28)12-6-18-5-11-22(29-4)21(24)14-18/h5,7-11,13-14,17H,6,12H2,1-4H3,(H,25,28).
What are the key properties of N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 395.48 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 71873153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).