ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate

C19H25N3O3 — CID 46403241

IUPACethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
SMILESCCCC(C)NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1
InChIInChI=1S/C19H25N3O3/c1-5-7-13(3)21-18(23)15-8-10-16(11-9-15)22-14(4)17(12-20-22)19(24)25-6-2/h8-13H,5-7H2,1-4H3,(H,21,23)
InChIKeyWYEXDUMEJALNJE-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.28
Rot. Bonds7

About ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate

ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate (PubChem CID 46403241) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
PubChem CID46403241
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
SMILESCCCC(C)NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1
InChIInChI=1S/C19H25N3O3/c1-5-7-13(3)21-18(23)15-8-10-16(11-9-15)22-14(4)17(12-20-22)19(24)25-6-2/h8-13H,5-7H2,1-4H3,(H,21,23)
InChIKeyWYEXDUMEJALNJE-UHFFFAOYSA-N
XLogP3.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate (CID 46403241) is ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate is CCCC(C)NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1.
What is the InChIKey of ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate?
The InChIKey is WYEXDUMEJALNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-5-7-13(3)21-18(23)15-8-10-16(11-9-15)22-14(4)17(12-20-22)19(24)25-6-2/h8-13H,5-7H2,1-4H3,(H,21,23).
What are the key properties of ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate?
ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 46403241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).