(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide

C12H20N4O2 — CID 94031066

IUPAC(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
SMILESC[C@H](Cn1cccn1)NC(=O)N1CCOC[C@H]1C
InChIInChI=1S/C12H20N4O2/c1-10(8-15-5-3-4-13-15)14-12(17)16-6-7-18-9-11(16)2/h3-5,10-11H,6-9H2,1-2H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyCHNRTFUVYXKYCT-GHMZBOCLSA-N
MW252.32 g/mol
LogP0.70
Rot. Bonds3

About (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide

(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide (PubChem CID 94031066) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
PubChem CID94031066
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
SMILESC[C@H](Cn1cccn1)NC(=O)N1CCOC[C@H]1C
InChIInChI=1S/C12H20N4O2/c1-10(8-15-5-3-4-13-15)14-12(17)16-6-7-18-9-11(16)2/h3-5,10-11H,6-9H2,1-2H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyCHNRTFUVYXKYCT-GHMZBOCLSA-N
XLogP0.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide (CID 94031066) is (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide is C[C@H](Cn1cccn1)NC(=O)N1CCOC[C@H]1C.
What is the InChIKey of (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide?
The InChIKey is CHNRTFUVYXKYCT-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10(8-15-5-3-4-13-15)14-12(17)16-6-7-18-9-11(16)2/h3-5,10-11H,6-9H2,1-2H3,(H,14,17)/t10-,11-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide?
(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 94031066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).