N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide

C12H18N4O2 — CID 138030394

IUPACN-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccnn1C1CCC1)N1CCOCC1
InChIInChI=1S/C12H18N4O2/c17-12(15-6-8-18-9-7-15)14-11-4-5-13-16(11)10-2-1-3-10/h4-5,10H,1-3,6-9H2,(H,14,17)
InChIKeyAGXDCWQTVPZMEH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.47
Rot. Bonds2

About N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide

N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide (PubChem CID 138030394) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide
PubChem CID138030394
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccnn1C1CCC1)N1CCOCC1
InChIInChI=1S/C12H18N4O2/c17-12(15-6-8-18-9-7-15)14-11-4-5-13-16(11)10-2-1-3-10/h4-5,10H,1-3,6-9H2,(H,14,17)
InChIKeyAGXDCWQTVPZMEH-UHFFFAOYSA-N
XLogP1.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide (CID 138030394) is N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide is O=C(Nc1ccnn1C1CCC1)N1CCOCC1.
What is the InChIKey of N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide?
The InChIKey is AGXDCWQTVPZMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12(15-6-8-18-9-7-15)14-11-4-5-13-16(11)10-2-1-3-10/h4-5,10H,1-3,6-9H2,(H,14,17).
What are the key properties of N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide?
N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 138030394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).