ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

C20H25N3O3 — CID 1025740

IUPACethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1NC(=O)C1CCC1
InChIInChI=1S/C20H25N3O3/c1-4-26-20(25)17-12-21-23(16-10-8-14(9-11-16)13(2)3)18(17)22-19(24)15-6-5-7-15/h8-13,15H,4-7H2,1-3H3,(H,22,24)
InChIKeyAGOPEKPBWZFFKA-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.91
Rot. Bonds6

About ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate (PubChem CID 1025740) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
PubChem CID1025740
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1NC(=O)C1CCC1
InChIInChI=1S/C20H25N3O3/c1-4-26-20(25)17-12-21-23(16-10-8-14(9-11-16)13(2)3)18(17)22-19(24)15-6-5-7-15/h8-13,15H,4-7H2,1-3H3,(H,22,24)
InChIKeyAGOPEKPBWZFFKA-UHFFFAOYSA-N
XLogP3.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate (CID 1025740) is ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1NC(=O)C1CCC1.
What is the InChIKey of ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate?
The InChIKey is AGOPEKPBWZFFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-26-20(25)17-12-21-23(16-10-8-14(9-11-16)13(2)3)18(17)22-19(24)15-6-5-7-15/h8-13,15H,4-7H2,1-3H3,(H,22,24).
What are the key properties of ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate?
ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 1025740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).