ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate

C20H22N4O4 — CID 44574563

IUPACethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(C)O)c1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H22N4O4/c1-3-28-19(26)16-11-21-24(12-13(2)25)18(16)23-20(27)22-17-10-6-8-14-7-4-5-9-15(14)17/h4-11,13,25H,3,12H2,1-2H3,(H2,22,23,27)
InChIKeyUBRCJVFJJKTMSI-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.24
Rot. Bonds6

About ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate

ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate (PubChem CID 44574563) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate
PubChem CID44574563
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Nameethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(C)O)c1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H22N4O4/c1-3-28-19(26)16-11-21-24(12-13(2)25)18(16)23-20(27)22-17-10-6-8-14-7-4-5-9-15(14)17/h4-11,13,25H,3,12H2,1-2H3,(H2,22,23,27)
InChIKeyUBRCJVFJJKTMSI-UHFFFAOYSA-N
XLogP3.24
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate (CID 44574563) is ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(C)O)c1NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate?
The InChIKey is UBRCJVFJJKTMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-28-19(26)16-11-21-24(12-13(2)25)18(16)23-20(27)22-17-10-6-8-14-7-4-5-9-15(14)17/h4-11,13,25H,3,12H2,1-2H3,(H2,22,23,27).
What are the key properties of ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate?
ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 44574563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).