4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

C14H21N7O3 — CID 119040093

IUPAC4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1C1CN(c2c([N+](=O)[O-])c(C)nn2CC)CCO1
InChIInChI=1S/C14H21N7O3/c1-4-18-9-15-16-13(18)11-8-19(6-7-24-11)14-12(21(22)23)10(3)17-20(14)5-2/h9,11H,4-8H2,1-3H3
InChIKeyYGNPOSNVZOSIIF-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.31
Rot. Bonds5

About 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 119040093) has the molecular formula C14H21N7O3 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
PubChem CID119040093
Molecular FormulaC14H21N7O3
Molecular Weight335.37 g/mol
Exact Mass335.17
IUPAC Name4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1C1CN(c2c([N+](=O)[O-])c(C)nn2CC)CCO1
InChIInChI=1S/C14H21N7O3/c1-4-18-9-15-16-13(18)11-8-19(6-7-24-11)14-12(21(22)23)10(3)17-20(14)5-2/h9,11H,4-8H2,1-3H3
InChIKeyYGNPOSNVZOSIIF-UHFFFAOYSA-N
XLogP1.31
TPSA104.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

(2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine
CID 124888980
(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
CID 104892733
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66012841
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
(2R)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-phenylmorpholine
CID 94819276
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 126800921
(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332145
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine
CID 129329476
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanol
CID 106837306
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
CID 129334871
3-methyl-1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-ol
CID 114680906

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (CID 119040093) is 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is CCn1cnnc1C1CN(c2c([N+](=O)[O-])c(C)nn2CC)CCO1.
What is the InChIKey of 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is YGNPOSNVZOSIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O3/c1-4-18-9-15-16-13(18)11-8-19(6-7-24-11)14-12(21(22)23)10(3)17-20(14)5-2/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 335.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 119040093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).