ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate

C18H24N4O3 — CID 46363324

IUPACethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate
SMILESCCCCN(C)C(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1
InChIInChI=1S/C18H24N4O3/c1-4-6-11-21(3)17(23)13-7-9-14(10-8-13)22-16(19)15(12-20-22)18(24)25-5-2/h7-10,12H,4-6,11,19H2,1-3H3
InChIKeyYZXJSXFUQYOGDR-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.50
Rot. Bonds7

About ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate (PubChem CID 46363324) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate
PubChem CID46363324
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nameethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate
SMILESCCCCN(C)C(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1
InChIInChI=1S/C18H24N4O3/c1-4-6-11-21(3)17(23)13-7-9-14(10-8-13)22-16(19)15(12-20-22)18(24)25-5-2/h7-10,12H,4-6,11,19H2,1-3H3
InChIKeyYZXJSXFUQYOGDR-UHFFFAOYSA-N
XLogP2.50
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate (CID 46363324) is ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate is CCCCN(C)C(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1.
What is the InChIKey of ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate?
The InChIKey is YZXJSXFUQYOGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-6-11-21(3)17(23)13-7-9-14(10-8-13)22-16(19)15(12-20-22)18(24)25-5-2/h7-10,12H,4-6,11,19H2,1-3H3.
What are the key properties of ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 46363324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).