1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine

C12H21N5O3 — CID 94190299

IUPAC1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC[C@@H](C)N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O3/c1-9(16-4-6-20-7-5-16)8-13-12-11(17(18)19)10(2)14-15(12)3/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyQXJDIDLOTKXOGZ-SECBINFHSA-N
MW283.33 g/mol
LogP0.77
Rot. Bonds5

About 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine

1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine (PubChem CID 94190299) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine
PubChem CID94190299
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC[C@@H](C)N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O3/c1-9(16-4-6-20-7-5-16)8-13-12-11(17(18)19)10(2)14-15(12)3/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyQXJDIDLOTKXOGZ-SECBINFHSA-N
XLogP0.77
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
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

1,3-dimethyl-N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-4-nitropyrazol-5-amine
CID 96527248
1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913295
1-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutan-2-ol
CID 115644085
1,3-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyrazol-5-amine
CID 62992662
5-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-4-methylpentanoic acid
CID 82017057
1,3-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-nitropyrazol-5-amine
CID 60502592
1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 43554263
1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
CID 103724978
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
CID 18769501
3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-5-nitroimidazol-4-amine
CID 18156199
1-N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,1-diamine
CID 139771367
3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 43554268

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine (CID 94190299) is 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine is Cc1nn(C)c(NC[C@@H](C)N2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine?
The InChIKey is QXJDIDLOTKXOGZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-9(16-4-6-20-7-5-16)8-13-12-11(17(18)19)10(2)14-15(12)3/h9,13H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine?
1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine has a molecular weight of 283.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 94190299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).