N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide

C21H19N5O5 — CID 1068342

IUPACN-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N5O5/c27-20(15-6-8-17(9-7-15)26(29)30)23-19-18(21(28)24-10-12-31-13-11-24)14-22-25(19)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,27)
InChIKeyGXSWLKAMHSUMPC-UHFFFAOYSA-N
MW421.41 g/mol
LogP2.51
Rot. Bonds5

About N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide

N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide (PubChem CID 1068342) has the molecular formula C21H19N5O5 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide
PubChem CID1068342
Molecular FormulaC21H19N5O5
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC NameN-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N5O5/c27-20(15-6-8-17(9-7-15)26(29)30)23-19-18(21(28)24-10-12-31-13-11-24)14-22-25(19)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,27)
InChIKeyGXSWLKAMHSUMPC-UHFFFAOYSA-N
XLogP2.51
TPSA119.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 52.51
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

VU-71
CID 11523834
4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-4-nitrobenzamide
CID 156014827
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633
Tert-butyl 4-[4-carbamoyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazol-1-yl]-4-(cyanomethyl)piperidine-1-carboxylate
CID 89473494
(2-fluorophenyl)-N-[1-phenyl-4-(piperidylcarbonyl)pyrazol-5-yl]carboxamide
CID 1284329
5-(2-Fluoro-benzoylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid diethylamide
CID 1350803
ethyl 4-[(5-{[(2-fluorophenyl)carbonyl]amino}-1-phenyl-1H-pyrazol-4-yl)carbonyl]piperazine-1-carboxylate
CID 2920111
Ethyl 1-methyl-5-[(4-nitrobenzoyl)amino]pyrazole-4-carboxylate
CID 2079427
3-Anilino-1-[4-(cyanomethyl)-1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89462473
3-Anilino-1-[4-(cyanomethyl)-1-[4-(dimethylamino)benzoyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 89473550
3-Anilino-1-[4-(cyanomethyl)-1-(3-morpholin-4-ylbenzoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89473673

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide?
The IUPAC name of N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide (CID 1068342) is N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide is O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide?
The InChIKey is GXSWLKAMHSUMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5/c27-20(15-6-8-17(9-7-15)26(29)30)23-19-18(21(28)24-10-12-31-13-11-24)14-22-25(19)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,27).
What are the key properties of N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide?
N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide has a molecular weight of 421.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]-4-nitrobenzamide is sourced from PubChem (CID 1068342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).