propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate

C21H22N4O3 — CID 91885717

IUPACpropan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCCc1c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cnn1-c1ccccn1
InChIInChI=1S/C21H22N4O3/c1-4-18-17(13-23-25(18)19-7-5-6-12-22-19)20(26)24-16-10-8-15(9-11-16)21(27)28-14(2)3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyZPPIWZDANYZSQU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.65
Rot. Bonds6

About propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate

propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 91885717) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
PubChem CID91885717
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Namepropan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCCc1c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cnn1-c1ccccn1
InChIInChI=1S/C21H22N4O3/c1-4-18-17(13-23-25(18)19-7-5-6-12-22-19)20(26)24-16-10-8-15(9-11-16)21(27)28-14(2)3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyZPPIWZDANYZSQU-UHFFFAOYSA-N
XLogP3.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-1-pyridin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55604055
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38021535
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55827653
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546318
5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55914939
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38332153
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
5-ethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 95286190

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate (CID 91885717) is propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate is CCc1c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cnn1-c1ccccn1.
What is the InChIKey of propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is ZPPIWZDANYZSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-18-17(13-23-25(18)19-7-5-6-12-22-19)20(26)24-16-10-8-15(9-11-16)21(27)28-14(2)3/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate?
propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 378.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 91885717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).