N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide

C21H23N3O3 — CID 95795144

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-13-5-7-15(8-6-13)20-17(12-22-24-20)21(25)23-14(2)16-9-10-18(26-3)19(11-16)27-4/h5-12,14H,1-4H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeySFSURDAYFNUGIO-CQSZACIVSA-N
MW365.43 g/mol
LogP3.89
Rot. Bonds6

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 95795144) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID95795144
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-13-5-7-15(8-6-13)20-17(12-22-24-20)21(25)23-14(2)16-9-10-18(26-3)19(11-16)27-4/h5-12,14H,1-4H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeySFSURDAYFNUGIO-CQSZACIVSA-N
XLogP3.89
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795220
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 91639554
5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 100906875
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 95316928
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824160
N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 95795239
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 51592407
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866009

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide (CID 95795144) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is SFSURDAYFNUGIO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-5-7-15(8-6-13)20-17(12-22-24-20)21(25)23-14(2)16-9-10-18(26-3)19(11-16)27-4/h5-12,14H,1-4H3,(H,22,24)(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95795144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).