2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide

C11H16N4O3 — CID 73439576

IUPAC2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)Cn2cccn2)CCO1
InChIInChI=1S/C11H16N4O3/c1-11(10(12)17)8-14(5-6-18-11)9(16)7-15-4-2-3-13-15/h2-4H,5-8H2,1H3,(H2,12,17)
InChIKeyVVSVDIVIPDZVBP-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.01
Rot. Bonds3

About 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide

2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide (PubChem CID 73439576) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
PubChem CID73439576
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)Cn2cccn2)CCO1
InChIInChI=1S/C11H16N4O3/c1-11(10(12)17)8-14(5-6-18-11)9(16)7-15-4-2-3-13-15/h2-4H,5-8H2,1H3,(H2,12,17)
InChIKeyVVSVDIVIPDZVBP-UHFFFAOYSA-N
XLogP-1.01
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide?
The IUPAC name of 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide (CID 73439576) is 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide.
What is the SMILES notation for 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide?
The canonical SMILES for 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide is CC1(C(N)=O)CN(C(=O)Cn2cccn2)CCO1.
What is the InChIKey of 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide?
The InChIKey is VVSVDIVIPDZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(10(12)17)8-14(5-6-18-11)9(16)7-15-4-2-3-13-15/h2-4H,5-8H2,1H3,(H2,12,17).
What are the key properties of 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide?
2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide is sourced from PubChem (CID 73439576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).