N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide

C23H27N3O2 — CID 42686670

IUPACN-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
SMILESCCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1ccccc1OC
InChIInChI=1S/C23H27N3O2/c1-6-18-21(24-22(27)17-9-7-8-10-19(17)28-5)20(26-25-18)15-11-13-16(14-12-15)23(2,3)4/h7-14H,6H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyZVQQLKFWZQLMTJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.20
Rot. Bonds5

About N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide

N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide (PubChem CID 42686670) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
PubChem CID42686670
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
SMILESCCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1ccccc1OC
InChIInChI=1S/C23H27N3O2/c1-6-18-21(24-22(27)17-9-7-8-10-19(17)28-5)20(26-25-18)15-11-13-16(14-12-15)23(2,3)4/h7-14H,6H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyZVQQLKFWZQLMTJ-UHFFFAOYSA-N
XLogP5.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide
CID 42687302
N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42687684
N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42687103
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686883
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide
CID 42686462
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
4-tert-butyl-N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4980574
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
CID 7710203
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 19226508
4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42874186

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide (CID 42686670) is N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide is CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1ccccc1OC.
What is the InChIKey of N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide?
The InChIKey is ZVQQLKFWZQLMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-6-18-21(24-22(27)17-9-7-8-10-19(17)28-5)20(26-25-18)15-11-13-16(14-12-15)23(2,3)4/h7-14H,6H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide?
N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide has a molecular weight of 377.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 42686670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).