(2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine

C15H18N4O3 — CID 94819276

IUPAC(2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine
SMILESCc1nn(C)c(N2CCO[C@H](c3ccccc3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O3/c1-11-14(19(20)21)15(17(2)16-11)18-8-9-22-13(10-18)12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyCXYGESQSYUJDET-ZDUSSCGKSA-N
MW302.33 g/mol
LogP2.21
Rot. Bonds3

About (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine

(2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine (PubChem CID 94819276) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine.

Molecular Properties

Compound Name(2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine
PubChem CID94819276
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine
SMILESCc1nn(C)c(N2CCO[C@H](c3ccccc3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O3/c1-11-14(19(20)21)15(17(2)16-11)18-8-9-22-13(10-18)12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyCXYGESQSYUJDET-ZDUSSCGKSA-N
XLogP2.21
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine?
The IUPAC name of (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine (CID 94819276) is (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine.
What is the SMILES notation for (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine?
The canonical SMILES for (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine is Cc1nn(C)c(N2CCO[C@H](c3ccccc3)C2)c1[N+](=O)[O-].
What is the InChIKey of (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine?
The InChIKey is CXYGESQSYUJDET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-14(19(20)21)15(17(2)16-11)18-8-9-22-13(10-18)12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine?
(2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine has a molecular weight of 302.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine is sourced from PubChem (CID 94819276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).