1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide

C9H13N5O4 — CID 4767952

IUPAC1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide
SMILESCn1ncc([N+](=O)[O-])c1C(=O)NN1CCOCC1
InChIInChI=1S/C9H13N5O4/c1-12-8(7(6-10-12)14(16)17)9(15)11-13-2-4-18-5-3-13/h6H,2-5H2,1H3,(H,11,15)
InChIKeyBGQVDPCHGHVSFB-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.69
Rot. Bonds3

About 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide

1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide (PubChem CID 4767952) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide
PubChem CID4767952
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide
SMILESCn1ncc([N+](=O)[O-])c1C(=O)NN1CCOCC1
InChIInChI=1S/C9H13N5O4/c1-12-8(7(6-10-12)14(16)17)9(15)11-13-2-4-18-5-3-13/h6H,2-5H2,1H3,(H,11,15)
InChIKeyBGQVDPCHGHVSFB-UHFFFAOYSA-N
XLogP-0.69
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.69
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
3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide
CID 78906552
1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
CID 19478431
1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide
CID 4769963
N-(1-adamantyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 3410075
N-benzyl-1-methyl-4-nitropyrazole-5-carboxamide
CID 747520
1-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-4-nitropyrazole;1-(1-methyl-4-nitropyrazol-5-yl)ethanone
CID 159159542
N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478340
2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide
CID 83013710
N-(4-chloro-2-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478348
methyl 4-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]benzoate
CID 748650
5-bromo-N-morpholin-4-yl-2-nitropyridine-4-carboxamide
CID 114194317

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide (CID 4767952) is 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide is Cn1ncc([N+](=O)[O-])c1C(=O)NN1CCOCC1.
What is the InChIKey of 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide?
The InChIKey is BGQVDPCHGHVSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4/c1-12-8(7(6-10-12)14(16)17)9(15)11-13-2-4-18-5-3-13/h6H,2-5H2,1H3,(H,11,15).
What are the key properties of 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide?
1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide has a molecular weight of 255.23 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 4767952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).