ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate

C20H21N5O4 — CID 50743577

IUPACethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(OCC)cc3)cn2)c1N
InChIInChI=1S/C20H21N5O4/c1-3-28-15-8-6-14(7-9-15)24-19(26)13-5-10-17(22-11-13)25-18(21)16(12-23-25)20(27)29-4-2/h5-12H,3-4,21H2,1-2H3,(H,24,26)
InChIKeyDJYPXWYZTVDESE-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.68
Rot. Bonds7

About ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 50743577) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID50743577
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Nameethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(OCC)cc3)cn2)c1N
InChIInChI=1S/C20H21N5O4/c1-3-28-15-8-6-14(7-9-15)24-19(26)13-5-10-17(22-11-13)25-18(21)16(12-23-25)20(27)29-4-2/h5-12H,3-4,21H2,1-2H3,(H,24,26)
InChIKeyDJYPXWYZTVDESE-UHFFFAOYSA-N
XLogP2.68
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363369
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
ethyl 5-amino-1-[4-[(3-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363338
methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164188
6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185
ethyl 5-amino-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363391
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
N-(4-ethoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9043122
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
CID 82192656

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate (CID 50743577) is ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(OCC)cc3)cn2)c1N.
What is the InChIKey of ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is DJYPXWYZTVDESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-3-28-15-8-6-14(7-9-15)24-19(26)13-5-10-17(22-11-13)25-18(21)16(12-23-25)20(27)29-4-2/h5-12H,3-4,21H2,1-2H3,(H,24,26).
What are the key properties of ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 395.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 50743577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).