N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide

C10H13N5O5 — CID 550946

IUPACN-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O5/c16-8(14-1-3-20-4-2-14)6-11-10(17)9-7(15(18)19)5-12-13-9/h5H,1-4,6H2,(H,11,17)(H,12,13)
InChIKeyYPAGTFVGYJRJGB-UHFFFAOYSA-N
MW283.24 g/mol
LogP-1.09
Rot. Bonds4

About N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide

N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 550946) has the molecular formula C10H13N5O5 and a molecular weight of 283.24 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID550946
Molecular FormulaC10H13N5O5
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC NameN-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O5/c16-8(14-1-3-20-4-2-14)6-11-10(17)9-7(15(18)19)5-12-13-9/h5H,1-4,6H2,(H,11,17)(H,12,13)
InChIKeyYPAGTFVGYJRJGB-UHFFFAOYSA-N
XLogP-1.09
TPSA130.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Morpholino(4-nitro-1H-pyrazol-3-yl)methanone
CID 754580
4-({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)morpholine
CID 844560
(2-Methyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone
CID 739551
4-({4-nitro-1-methyl-1H-pyrazol-5-yl}carbonyl)-2,6-dimethylmorpholine
CID 4112680
4-({4-nitro-1-methyl-1H-pyrazol-3-yl}carbonyl)-2,6-dimethylmorpholine
CID 4427813
4-Nitro-N-(2-oxo-2-piperidinoethyl)pyrazole-3-carboxamide
CID 550153
N-(3-methylbutyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 587854
N-[(4-nitro-1H-pyrazol-3-yl)carbonyl]glycine
CID 1237196
N-butyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1719414
N-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1255769
4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide
CID 137296911
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 55261446

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide (CID 550946) is N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide is O=C(NCC(=O)N1CCOCC1)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is YPAGTFVGYJRJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O5/c16-8(14-1-3-20-4-2-14)6-11-10(17)9-7(15(18)19)5-12-13-9/h5H,1-4,6H2,(H,11,17)(H,12,13).
What are the key properties of N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 283.24 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-oxoethyl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 550946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).