N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

C19H18FN3O3 — CID 112798327

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nn(-c3ccccc3)cc2O)cc1F
InChIInChI=1S/C19H18FN3O3/c1-12(13-8-9-17(26-2)15(20)10-13)21-19(25)18-16(24)11-23(22-18)14-6-4-3-5-7-14/h3-12,24H,1-2H3,(H,21,25)
InChIKeyQFEBMVRQSRSQJT-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.22
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (PubChem CID 112798327) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
PubChem CID112798327
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nn(-c3ccccc3)cc2O)cc1F
InChIInChI=1S/C19H18FN3O3/c1-12(13-8-9-17(26-2)15(20)10-13)21-19(25)18-16(24)11-23(22-18)14-6-4-3-5-7-14/h3-12,24H,1-2H3,(H,21,25)
InChIKeyQFEBMVRQSRSQJT-UHFFFAOYSA-N
XLogP3.22
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 24594799
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104741328
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 124620638
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112803447
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533466
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 24550122
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide
CID 26238797
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide
CID 46441310
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide
CID 40882617
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 25498964

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (CID 112798327) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is COc1ccc(C(C)NC(=O)c2nn(-c3ccccc3)cc2O)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is QFEBMVRQSRSQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12(13-8-9-17(26-2)15(20)10-13)21-19(25)18-16(24)11-23(22-18)14-6-4-3-5-7-14/h3-12,24H,1-2H3,(H,21,25).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 112798327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).