ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate

C19H26N4O4 — CID 25211121

IUPACethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate
SMILESCCCC(O)Cn1ncc(C(=O)OCC)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C19H26N4O4/c1-3-8-15(24)13-23-17(16(12-21-23)18(25)27-4-2)22-19(26)20-11-14-9-6-5-7-10-14/h5-7,9-10,12,15,24H,3-4,8,11,13H2,1-2H3,(H2,20,22,26)
InChIKeyGNNLSZAYUVLNTH-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.54
Rot. Bonds9

About ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate

ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate (PubChem CID 25211121) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate
PubChem CID25211121
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate
SMILESCCCC(O)Cn1ncc(C(=O)OCC)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C19H26N4O4/c1-3-8-15(24)13-23-17(16(12-21-23)18(25)27-4-2)22-19(26)20-11-14-9-6-5-7-10-14/h5-7,9-10,12,15,24H,3-4,8,11,13H2,1-2H3,(H2,20,22,26)
InChIKeyGNNLSZAYUVLNTH-UHFFFAOYSA-N
XLogP2.54
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate (CID 25211121) is ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate is CCCC(O)Cn1ncc(C(=O)OCC)c1NC(=O)NCc1ccccc1.
What is the InChIKey of ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate?
The InChIKey is GNNLSZAYUVLNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-8-15(24)13-23-17(16(12-21-23)18(25)27-4-2)22-19(26)20-11-14-9-6-5-7-10-14/h5-7,9-10,12,15,24H,3-4,8,11,13H2,1-2H3,(H2,20,22,26).
What are the key properties of ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate?
ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate is sourced from PubChem (CID 25211121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).