1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide

C23H27N3O4 — CID 78873269

IUPAC1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)c(OCCOC)c2)cnn1Cc1ccccc1
InChIInChI=1S/C23H27N3O4/c1-4-20-19(15-24-26(20)16-17-8-6-5-7-9-17)23(27)25-18-10-11-21(29-3)22(14-18)30-13-12-28-2/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,25,27)
InChIKeyZPDATPZMGQYUTN-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.78
Rot. Bonds10

About 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 78873269) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID78873269
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)c(OCCOC)c2)cnn1Cc1ccccc1
InChIInChI=1S/C23H27N3O4/c1-4-20-19(15-24-26(20)16-17-8-6-5-7-9-17)23(27)25-18-10-11-21(29-3)22(14-18)30-13-12-28-2/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,25,27)
InChIKeyZPDATPZMGQYUTN-UHFFFAOYSA-N
XLogP3.78
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 78873277
N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
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-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 78872958
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
N-(3,4-dimethoxyphenyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31900906

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide (CID 78873269) is 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(OC)c(OCCOC)c2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is ZPDATPZMGQYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-4-20-19(15-24-26(20)16-17-8-6-5-7-9-17)23(27)25-18-10-11-21(29-3)22(14-18)30-13-12-28-2/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,25,27).
What are the key properties of 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78873269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).