1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide

C20H21N3O2 — CID 78874158

IUPAC1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2OC)cnn1Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-18-16(13-21-23(18)14-15-9-5-4-6-10-15)20(24)22-17-11-7-8-12-19(17)25-2/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeySZTYSNDSNRQDTE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.75
Rot. Bonds6

About 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 78874158) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID78874158
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2OC)cnn1Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-18-16(13-21-23(18)14-15-9-5-4-6-10-15)20(24)22-17-11-7-8-12-19(17)25-2/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeySZTYSNDSNRQDTE-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
CID 78873269
1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78873630
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 78873277
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307
1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78887495
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 78874158) is 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccccc2OC)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is SZTYSNDSNRQDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-18-16(13-21-23(18)14-15-9-5-4-6-10-15)20(24)22-17-11-7-8-12-19(17)25-2/h4-13H,3,14H2,1-2H3,(H,22,24).
What are the key properties of 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78874158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).