N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide

C22H24N4O3 — CID 78873610

IUPACN-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)cnn1Cc1ccccc1
InChIInChI=1S/C22H24N4O3/c1-4-20-18(13-23-26(20)14-16-8-6-5-7-9-16)22(28)25-17-10-11-21(29-3)19(12-17)24-15(2)27/h5-13H,4,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKEYGFLISTCJGLO-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.71
Rot. Bonds7

About N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide

N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide (PubChem CID 78873610) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
PubChem CID78873610
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)cnn1Cc1ccccc1
InChIInChI=1S/C22H24N4O3/c1-4-20-18(13-23-26(20)14-16-8-6-5-7-9-16)22(28)25-17-10-11-21(29-3)19(12-17)24-15(2)27/h5-13H,4,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKEYGFLISTCJGLO-UHFFFAOYSA-N
XLogP3.71
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
CID 78873269
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 78873277
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78887495
1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 78872958
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide (CID 78873610) is N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)cnn1Cc1ccccc1.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide?
The InChIKey is KEYGFLISTCJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-20-18(13-23-26(20)14-16-8-6-5-7-9-16)22(28)25-17-10-11-21(29-3)19(12-17)24-15(2)27/h5-13H,4,14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78873610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).