1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide

C22H25N3O3 — CID 78874236

IUPAC1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(OC)c(OC)c2)cnn1Cc1ccccc1
InChIInChI=1S/C22H25N3O3/c1-4-19-18(14-24-25(19)15-16-8-6-5-7-9-16)22(26)23-13-17-10-11-20(27-2)21(12-17)28-3/h5-12,14H,4,13,15H2,1-3H3,(H,23,26)
InChIKeyDCEXFDGKDPAUEM-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.44
Rot. Bonds8

About 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide

1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 78874236) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
PubChem CID78874236
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(OC)c(OC)c2)cnn1Cc1ccccc1
InChIInChI=1S/C22H25N3O3/c1-4-19-18(14-24-25(19)15-16-8-6-5-7-9-16)22(26)23-13-17-10-11-20(27-2)21(12-17)28-3/h5-12,14H,4,13,15H2,1-3H3,(H,23,26)
InChIKeyDCEXFDGKDPAUEM-UHFFFAOYSA-N
XLogP3.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[[4-(ethoxymethyl)phenyl]methyl]-5-ethylpyrazole-4-carboxamide
CID 78872826
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78902698
1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
CID 78873269
N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 78873277
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085114
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide (CID 78874236) is 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccc(OC)c(OC)c2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is DCEXFDGKDPAUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-19-18(14-24-25(19)15-16-8-6-5-7-9-16)22(26)23-13-17-10-11-20(27-2)21(12-17)28-3/h5-12,14H,4,13,15H2,1-3H3,(H,23,26).
What are the key properties of 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78874236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).