N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

C20H21N3O3 — CID 45355171

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C20H21N3O3/c1-13(16-11-15(25-2)9-10-19(16)26-3)21-20(24)18-12-17(22-23-18)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChIKeyBPDBGZRICPITOV-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.58
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 45355171) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID45355171
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C20H21N3O3/c1-13(16-11-15(25-2)9-10-19(16)26-3)21-20(24)18-12-17(22-23-18)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChIKeyBPDBGZRICPITOV-UHFFFAOYSA-N
XLogP3.58
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 19510063
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479909
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 20918247
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 45030575
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508228
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 45355171) is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is BPDBGZRICPITOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(16-11-15(25-2)9-10-19(16)26-3)21-20(24)18-12-17(22-23-18)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45355171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).