2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide

C11H9FN4O3 — CID 107261878

IUPAC2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2ccn[nH]2)c1F
InChIInChI=1S/C11H9FN4O3/c1-6-4-7(16(18)19)5-8(10(6)12)11(17)14-9-2-3-13-15-9/h2-5H,1H3,(H2,13,14,15,17)
InChIKeyNUPRNXHHAMTLIQ-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.02
Rot. Bonds3

About 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide

2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 107261878) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide
PubChem CID107261878
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC Name2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2ccn[nH]2)c1F
InChIInChI=1S/C11H9FN4O3/c1-6-4-7(16(18)19)5-8(10(6)12)11(17)14-9-2-3-13-15-9/h2-5H,1H3,(H2,13,14,15,17)
InChIKeyNUPRNXHHAMTLIQ-UHFFFAOYSA-N
XLogP2.02
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107261812
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297649
2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide
CID 103297109
2-fluoro-3-methyl-5-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103297192
1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61393253
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297780
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
2-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzamide
CID 103297090
2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-5-nitrobenzamide
CID 103297678
N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297178

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide (CID 107261878) is 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide is Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccn[nH]2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is NUPRNXHHAMTLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c1-6-4-7(16(18)19)5-8(10(6)12)11(17)14-9-2-3-13-15-9/h2-5H,1H3,(H2,13,14,15,17).
What are the key properties of 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide?
2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 264.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 107261878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).