ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate

C16H20N4O3 — CID 46363367

IUPACethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
SMILESCCCNC(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1
InChIInChI=1S/C16H20N4O3/c1-3-9-18-15(21)11-5-7-12(8-6-11)20-14(17)13(10-19-20)16(22)23-4-2/h5-8,10H,3-4,9,17H2,1-2H3,(H,18,21)
InChIKeyKHBJRBMLMLWKOO-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.77
Rot. Bonds6

About ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate (PubChem CID 46363367) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
PubChem CID46363367
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
SMILESCCCNC(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1
InChIInChI=1S/C16H20N4O3/c1-3-9-18-15(21)11-5-7-12(8-6-11)20-14(17)13(10-19-20)16(22)23-4-2/h5-8,10H,3-4,9,17H2,1-2H3,(H,18,21)
InChIKeyKHBJRBMLMLWKOO-UHFFFAOYSA-N
XLogP1.77
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-[4-(3-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363360
ethyl 5-amino-1-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363368
ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363369
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 78867948
methyl 5-amino-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363518
ethyl 5-amino-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363371
ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363324
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359
ethyl 5-amino-1-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363406
ethyl 5-amino-1-[4-[(3-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363338
methyl 5-amino-1-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363545

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate (CID 46363367) is ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate is CCCNC(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1.
What is the InChIKey of ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate?
The InChIKey is KHBJRBMLMLWKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-9-18-15(21)11-5-7-12(8-6-11)20-14(17)13(10-19-20)16(22)23-4-2/h5-8,10H,3-4,9,17H2,1-2H3,(H,18,21).
What are the key properties of ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 46363367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).