3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide

C12H18N4O3 — CID 5348238

IUPAC3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1ccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C12H18N4O3/c1-2-4-13-12(18)16-5-3-10(14-16)11(17)15-6-8-19-9-7-15/h3,5H,2,4,6-9H2,1H3,(H,13,18)
InChIKeyXTQCIGKURNPDQM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds3

About 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide

3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide (PubChem CID 5348238) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide
PubChem CID5348238
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1ccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C12H18N4O3/c1-2-4-13-12(18)16-5-3-10(14-16)11(17)15-6-8-19-9-7-15/h3,5H,2,4,6-9H2,1H3,(H,13,18)
InChIKeyXTQCIGKURNPDQM-UHFFFAOYSA-N
XLogP0.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide?
The IUPAC name of 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide (CID 5348238) is 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide?
The canonical SMILES for 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide is CCCNC(=O)n1ccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide?
The InChIKey is XTQCIGKURNPDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-4-13-12(18)16-5-3-10(14-16)11(17)15-6-8-19-9-7-15/h3,5H,2,4,6-9H2,1H3,(H,13,18).
What are the key properties of 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide?
3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-N-propylpyrazole-1-carboxamide is sourced from PubChem (CID 5348238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).