2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid

C23H25N3O3 — CID 120525129

IUPAC2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCc1c(C(=O)NCC(Cc2ccccc2)C(=O)O)cnn1Cc1ccccc1
InChIInChI=1S/C23H25N3O3/c1-2-21-20(15-25-26(21)16-18-11-7-4-8-12-18)22(27)24-14-19(23(28)29)13-17-9-5-3-6-10-17/h3-12,15,19H,2,13-14,16H2,1H3,(H,24,27)(H,28,29)
InChIKeyDCKZTCSOBPTTDV-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.17
Rot. Bonds9

About 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid

2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 120525129) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID120525129
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCc1c(C(=O)NCC(Cc2ccccc2)C(=O)O)cnn1Cc1ccccc1
InChIInChI=1S/C23H25N3O3/c1-2-21-20(15-25-26(21)16-18-11-7-4-8-12-18)22(27)24-14-19(23(28)29)13-17-9-5-3-6-10-17/h3-12,15,19H,2,13-14,16H2,1H3,(H,24,27)(H,28,29)
InChIKeyDCKZTCSOBPTTDV-UHFFFAOYSA-N
XLogP3.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide
CID 78885955
2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525159
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
CID 78892567
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
1-benzyl-N-[[4-(ethoxymethyl)phenyl]methyl]-5-ethylpyrazole-4-carboxamide
CID 78872826
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid (CID 120525129) is 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid is CCc1c(C(=O)NCC(Cc2ccccc2)C(=O)O)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is DCKZTCSOBPTTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-21-20(15-25-26(21)16-18-11-7-4-8-12-18)22(27)24-14-19(23(28)29)13-17-9-5-3-6-10-17/h3-12,15,19H,2,13-14,16H2,1H3,(H,24,27)(H,28,29).
What are the key properties of 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid?
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 391.47 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120525129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).