4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide

C15H18N4O4 — CID 4988273

IUPAC4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
SMILESCc1nn(CCCC(=O)Nc2cccc(O)c2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O4/c1-10-15(19(22)23)11(2)18(17-10)8-4-7-14(21)16-12-5-3-6-13(20)9-12/h3,5-6,9,20H,4,7-8H2,1-2H3,(H,16,21)
InChIKeyGJPJOGTXLFGXCZ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.53
Rot. Bonds6

About 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide

4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide (PubChem CID 4988273) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
PubChem CID4988273
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
SMILESCc1nn(CCCC(=O)Nc2cccc(O)c2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O4/c1-10-15(19(22)23)11(2)18(17-10)8-4-7-14(21)16-12-5-3-6-13(20)9-12/h3,5-6,9,20H,4,7-8H2,1-2H3,(H,16,21)
InChIKeyGJPJOGTXLFGXCZ-UHFFFAOYSA-N
XLogP2.53
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.53
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

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
CID 5054315
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]butanamide
CID 12004814
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
CID 12004816
N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 17382128
2-[4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-(3-hydroxy-5-nitrophenyl)acetamide
CID 1100803
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 702239
N-(3-hydroxyphenyl)-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
CID 2861608
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 5056525
N-(5-chloro-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 15994704
N-(5-bromo-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 16002307
N-(3-hydroxy-5-nitrophenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 867031
N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1100793

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide?
The IUPAC name of 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide (CID 4988273) is 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide?
The canonical SMILES for 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide is Cc1nn(CCCC(=O)Nc2cccc(O)c2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide?
The InChIKey is GJPJOGTXLFGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10-15(19(22)23)11(2)18(17-10)8-4-7-14(21)16-12-5-3-6-13(20)9-12/h3,5-6,9,20H,4,7-8H2,1-2H3,(H,16,21).
What are the key properties of 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide?
4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide has a molecular weight of 318.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide is sourced from PubChem (CID 4988273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).