ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate

C19H19N5O3 — CID 155804065

IUPACethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1
InChIInChI=1S/C19H19N5O3/c1-2-27-19(26)12-8-10-14(11-9-12)22-18(25)15-16(20)23-24-17(15)21-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,22,25)(H4,20,21,23,24)
InChIKeyFCCYVUQJVRTQQN-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.16
Rot. Bonds6

About ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate

ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate (PubChem CID 155804065) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate
PubChem CID155804065
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Nameethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1
InChIInChI=1S/C19H19N5O3/c1-2-27-19(26)12-8-10-14(11-9-12)22-18(25)15-16(20)23-24-17(15)21-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,22,25)(H4,20,21,23,24)
InChIKeyFCCYVUQJVRTQQN-UHFFFAOYSA-N
XLogP3.16
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-anilino-1H-pyrazole-4-carboxamide
CID 2357212
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
ethyl 4-[(3-methylquinoxalin-2-yl)amino]benzoate
CID 91124666
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
CID 109355772
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
ethyl 4-[4-(pyridine-3-carbonylamino)anilino]benzoate
CID 112989376
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 3-[[5-amino-6-(4-ethoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 19146402
ethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 23935083
ethyl 3-(4-ethoxycarbonylanilino)-5,6-diphenylpyridazine-4-carboxylate
CID 23767913
ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
CID 144539371

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate (CID 155804065) is ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1.
What is the InChIKey of ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate?
The InChIKey is FCCYVUQJVRTQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-2-27-19(26)12-8-10-14(11-9-12)22-18(25)15-16(20)23-24-17(15)21-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,22,25)(H4,20,21,23,24).
What are the key properties of ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate?
ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 155804065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).