1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide

C12H19N5O4 — CID 19480855

IUPAC1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O4/c1-9-10(17(19)20)11(15(2)14-9)12(18)13-3-4-16-5-7-21-8-6-16/h3-8H2,1-2H3,(H,13,18)
InChIKeyYRJWNFXUTPIABA-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.30
Rot. Bonds5

About 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide

1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide (PubChem CID 19480855) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
PubChem CID19480855
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O4/c1-9-10(17(19)20)11(15(2)14-9)12(18)13-3-4-16-5-7-21-8-6-16/h3-8H2,1-2H3,(H,13,18)
InChIKeyYRJWNFXUTPIABA-UHFFFAOYSA-N
XLogP-0.30
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.30
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-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19478535
N-butyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480862
1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide
CID 19266451
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19530085
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480868
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide (CID 19480855) is 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCN2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide?
The InChIKey is YRJWNFXUTPIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-9-10(17(19)20)11(15(2)14-9)12(18)13-3-4-16-5-7-21-8-6-16/h3-8H2,1-2H3,(H,13,18).
What are the key properties of 1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide?
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide has a molecular weight of 297.31 g/mol, XLogP of -0.30, 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-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 19480855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).