ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate

C18H19N5O3 — CID 86835011

IUPACethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2ccc(NC(=O)c3cnn(C)c3C)cc2)n1
InChIInChI=1S/C18H19N5O3/c1-4-26-18(25)16-9-10-23(21-16)14-7-5-13(6-8-14)20-17(24)15-11-19-22(3)12(15)2/h5-11H,4H2,1-3H3,(H,20,24)
InChIKeyOXHPXCIRKKXETF-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.34
Rot. Bonds5

About ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate

ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate (PubChem CID 86835011) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
PubChem CID86835011
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Nameethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2ccc(NC(=O)c3cnn(C)c3C)cc2)n1
InChIInChI=1S/C18H19N5O3/c1-4-26-18(25)16-9-10-23(21-16)14-7-5-13(6-8-14)20-17(24)15-11-19-22(3)12(15)2/h5-11H,4H2,1-3H3,(H,20,24)
InChIKeyOXHPXCIRKKXETF-UHFFFAOYSA-N
XLogP2.34
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate (CID 86835011) is ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2ccc(NC(=O)c3cnn(C)c3C)cc2)n1.
What is the InChIKey of ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate?
The InChIKey is OXHPXCIRKKXETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-4-26-18(25)16-9-10-23(21-16)14-7-5-13(6-8-14)20-17(24)15-11-19-22(3)12(15)2/h5-11H,4H2,1-3H3,(H,20,24).
What are the key properties of ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate?
ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 86835011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).