(2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine

C15H24N4O4 — CID 124888980

IUPAC(2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine
SMILESCCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](COCC2CC2)C1
InChIInChI=1S/C15H24N4O4/c1-3-18-15(14(19(20)21)11(2)16-18)17-6-7-23-13(8-17)10-22-9-12-4-5-12/h12-13H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyQUBYEGCXTAVZHN-CYBMUJFWSA-N
MW324.38 g/mol
LogP1.75
Rot. Bonds7

About (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine

(2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine (PubChem CID 124888980) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine
PubChem CID124888980
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name(2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine
SMILESCCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](COCC2CC2)C1
InChIInChI=1S/C15H24N4O4/c1-3-18-15(14(19(20)21)11(2)16-18)17-6-7-23-13(8-17)10-22-9-12-4-5-12/h12-13H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyQUBYEGCXTAVZHN-CYBMUJFWSA-N
XLogP1.75
TPSA82.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
CID 104892733
4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 119040093
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976800
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66012841
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanol
CID 106837306
N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 99836664
1-cyclopropyl-6-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 122145567
N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 99836739
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidine-2-carbaldehyde
CID 66012079
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-4-methylpiperidine-4-carboxylic acid
CID 66012964
3-methyl-1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-ol
CID 114680906
1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 66011033

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine?
The IUPAC name of (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine (CID 124888980) is (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine.
What is the SMILES notation for (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine?
The canonical SMILES for (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine is CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](COCC2CC2)C1.
What is the InChIKey of (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine?
The InChIKey is QUBYEGCXTAVZHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-3-18-15(14(19(20)21)11(2)16-18)17-6-7-23-13(8-17)10-22-9-12-4-5-12/h12-13H,3-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine?
(2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine has a molecular weight of 324.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine is sourced from PubChem (CID 124888980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).