ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate

C19H18N4O3 — CID 2815917

IUPACethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H18N4O3/c1-2-26-18(24)16-13-20-23(15-11-7-4-8-12-15)17(16)22-19(25)21-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H2,21,22,25)
InChIKeyAPXNOJLADRFDCK-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.69
Rot. Bonds5

About ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate

ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate (PubChem CID 2815917) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate
PubChem CID2815917
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Nameethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H18N4O3/c1-2-26-18(24)16-13-20-23(15-11-7-4-8-12-15)17(16)22-19(25)21-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H2,21,22,25)
InChIKeyAPXNOJLADRFDCK-UHFFFAOYSA-N
XLogP3.69
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate (CID 2815917) is ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Nc1ccccc1.
What is the InChIKey of ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate?
The InChIKey is APXNOJLADRFDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-26-18(24)16-13-20-23(15-11-7-4-8-12-15)17(16)22-19(25)21-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H2,21,22,25).
What are the key properties of ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate?
ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 2815917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).