3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide

C12H18N4O2 — CID 86800086

IUPAC3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
SMILESCn1nccc1NC(=O)N1CCOCC1C1CC1
InChIInChI=1S/C12H18N4O2/c1-15-11(4-5-13-15)14-12(17)16-6-7-18-8-10(16)9-2-3-9/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,17)
InChIKeyJSVFDNOOESIXPW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.06
Rot. Bonds2

About 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide

3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide (PubChem CID 86800086) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
PubChem CID86800086
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
SMILESCn1nccc1NC(=O)N1CCOCC1C1CC1
InChIInChI=1S/C12H18N4O2/c1-15-11(4-5-13-15)14-12(17)16-6-7-18-8-10(16)9-2-3-9/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,17)
InChIKeyJSVFDNOOESIXPW-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide (CID 86800086) is 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide is Cn1nccc1NC(=O)N1CCOCC1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide?
The InChIKey is JSVFDNOOESIXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-11(4-5-13-15)14-12(17)16-6-7-18-8-10(16)9-2-3-9/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,17).
What are the key properties of 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide?
3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 86800086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).