N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide

C19H18N6O4 — CID 47034576

IUPACN-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H18N6O4/c26-19(22-18-6-5-17(12-20-18)23-7-9-29-10-8-23)14-11-21-24(13-14)15-1-3-16(4-2-15)25(27)28/h1-6,11-13H,7-10H2,(H,20,22,26)
InChIKeyYEOOTSWRTSUGME-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.26
Rot. Bonds5

About N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide

N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide (PubChem CID 47034576) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
PubChem CID47034576
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC NameN-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H18N6O4/c26-19(22-18-6-5-17(12-20-18)23-7-9-29-10-8-23)14-11-21-24(13-14)15-1-3-16(4-2-15)25(27)28/h1-6,11-13H,7-10H2,(H,20,22,26)
InChIKeyYEOOTSWRTSUGME-UHFFFAOYSA-N
XLogP2.26
TPSA115.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[4-(azepan-1-yl)phenyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 51117901
N-(5-morpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38143196
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939
N-(1-adamantyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55699526
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide
CID 78883917
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
N-(5-morpholin-4-yl-2-pyridinyl)-3-(tetrazol-1-yl)benzamide
CID 134053219
1-(4-nitrophenyl)-4-pyrrolidin-1-ylpyrazole
CID 176615836
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide (CID 47034576) is N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide?
The InChIKey is YEOOTSWRTSUGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c26-19(22-18-6-5-17(12-20-18)23-7-9-29-10-8-23)14-11-21-24(13-14)15-1-3-16(4-2-15)25(27)28/h1-6,11-13H,7-10H2,(H,20,22,26).
What are the key properties of N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide?
N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-2-pyridinyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47034576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).