(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine

C10H16N4O2 — CID 166770798

IUPAC(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine
SMILESCc1cc(N=O)n(C[C@@H]2CN(C)CCO2)n1
InChIInChI=1S/C10H16N4O2/c1-8-5-10(12-15)14(11-8)7-9-6-13(2)3-4-16-9/h5,9H,3-4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyWFOIGVJWEFSMKE-VIFPVBQESA-N
MW224.26 g/mol
LogP0.92
Rot. Bonds3

About (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine

(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine (PubChem CID 166770798) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine
PubChem CID166770798
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine
SMILESCc1cc(N=O)n(C[C@@H]2CN(C)CCO2)n1
InChIInChI=1S/C10H16N4O2/c1-8-5-10(12-15)14(11-8)7-9-6-13(2)3-4-16-9/h5,9H,3-4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyWFOIGVJWEFSMKE-VIFPVBQESA-N
XLogP0.92
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-amine
CID 60136524
4-[(1-Methyl-3-nitropyrazol-5-yl)methyl]morpholine
CID 60136525
Acetic acid 1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)-ethyl ester
CID 66891631
5-(2-Methoxyethyl)-2-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 86683990
5-(1-Methoxypropan-2-yl)-2-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 86684544
5-(1-methoxypropan-2-yl)-2-nitroso-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 121258283
1-(2-Methoxypropyl)-3-methyl-1H-pyrazol-5-amine
CID 130929651
4-(2,5-Dimethylpyrazol-3-yl)-2-methylmorpholine
CID 132236418
6-(3-Methyl-5-morpholin-4-ylpyrazol-1-yl)-2,3-dihydropyrazin-5-amine
CID 135217566
1-(2-methoxyethyl)-5-methyl-3-nitro-1H-Pyrazole
CID 135374799
4-(2,5-Dimethylpyrazol-3-yl)morpholine
CID 141134324
2,5-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrazol-3-amine
CID 141468198

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine?
The IUPAC name of (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine (CID 166770798) is (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine?
The canonical SMILES for (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine is Cc1cc(N=O)n(C[C@@H]2CN(C)CCO2)n1.
What is the InChIKey of (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine?
The InChIKey is WFOIGVJWEFSMKE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8-5-10(12-15)14(11-8)7-9-6-13(2)3-4-16-9/h5,9H,3-4,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine?
(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine has a molecular weight of 224.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 166770798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).