N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide

C17H12FN5O4 — CID 59733390

IUPACN-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12FN5O4/c18-11-4-6-12(7-5-11)20-17(25)15-14(9-19-22-15)21-16(24)10-2-1-3-13(8-10)23(26)27/h1-9H,(H,19,22)(H,20,25)(H,21,24)
InChIKeyUTTQAFZVQSYIKR-UHFFFAOYSA-N
MW369.31 g/mol
LogP2.96
Rot. Bonds5

About N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide

N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 59733390) has the molecular formula C17H12FN5O4 and a molecular weight of 369.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID59733390
Molecular FormulaC17H12FN5O4
Molecular Weight369.31 g/mol
Exact Mass369.09
IUPAC NameN-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12FN5O4/c18-11-4-6-12(7-5-11)20-17(25)15-14(9-19-22-15)21-16(24)10-2-1-3-13(8-10)23(26)27/h1-9H,(H,19,22)(H,20,25)(H,21,24)
InChIKeyUTTQAFZVQSYIKR-UHFFFAOYSA-N
XLogP2.96
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
3-nitro-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779436
N-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905079
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
N-[4-[[(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 171135939
3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 76848987
N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 22775598
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 59733390) is N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is UTTQAFZVQSYIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O4/c18-11-4-6-12(7-5-11)20-17(25)15-14(9-19-22-15)21-16(24)10-2-1-3-13(8-10)23(26)27/h1-9H,(H,19,22)(H,20,25)(H,21,24).
What are the key properties of N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 369.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).