4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide

C12H20N4O2 — CID 86786686

IUPAC4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
SMILESCCn1nccc1CN1CCOC(C(=O)NC)C1
InChIInChI=1S/C12H20N4O2/c1-3-16-10(4-5-14-16)8-15-6-7-18-11(9-15)12(17)13-2/h4-5,11H,3,6-9H2,1-2H3,(H,13,17)
InChIKeyISJLKMLDMPPCCI-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.15
Rot. Bonds4

About 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide

4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 86786686) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
PubChem CID86786686
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
SMILESCCn1nccc1CN1CCOC(C(=O)NC)C1
InChIInChI=1S/C12H20N4O2/c1-3-16-10(4-5-14-16)8-15-6-7-18-11(9-15)12(17)13-2/h4-5,11H,3,6-9H2,1-2H3,(H,13,17)
InChIKeyISJLKMLDMPPCCI-UHFFFAOYSA-N
XLogP-0.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide (CID 86786686) is 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide is CCn1nccc1CN1CCOC(C(=O)NC)C1.
What is the InChIKey of 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is ISJLKMLDMPPCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-16-10(4-5-14-16)8-15-6-7-18-11(9-15)12(17)13-2/h4-5,11H,3,6-9H2,1-2H3,(H,13,17).
What are the key properties of 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide?
4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 86786686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).