4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide

C14H15ClN4O4 — CID 5054315

IUPAC4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H15ClN4O4/c1-9-13(15)14(19(22)23)17-18(9)7-3-6-12(21)16-10-4-2-5-11(20)8-10/h2,4-5,8,20H,3,6-7H2,1H3,(H,16,21)
InChIKeyAGWMHOUTEOVZEY-UHFFFAOYSA-N
MW338.75 g/mol
LogP2.88
Rot. Bonds6

About 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide

4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide (PubChem CID 5054315) has the molecular formula C14H15ClN4O4 and a molecular weight of 338.75 g/mol. Its IUPAC name is 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
PubChem CID5054315
Molecular FormulaC14H15ClN4O4
Molecular Weight338.75 g/mol
Exact Mass338.08
IUPAC Name4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H15ClN4O4/c1-9-13(15)14(19(22)23)17-18(9)7-3-6-12(21)16-10-4-2-5-11(20)8-10/h2,4-5,8,20H,3,6-7H2,1H3,(H,16,21)
InChIKeyAGWMHOUTEOVZEY-UHFFFAOYSA-N
XLogP2.88
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 52.88
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-nitro-5-phenoxyphenyl)butanamide
CID 12004782
N-(3-hydroxyphenyl)-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
CID 2861608
N-(5-Chloro-2-hydroxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-YL)acetamide
CID 749076
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)acetamide
CID 1832261
N-(5-bromo-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 2237444
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
CID 4988273
N-(5-chloro-2-hydroxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 5054320
N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 7311364
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 16000720
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)butanamide
CID 16002305
4-(4-chloro-5-methyl-3-nitropyrazolyl)-N-(4-methoxyphenyl)butanamide
CID 16003389
4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7311368

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide?
The IUPAC name of 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide (CID 5054315) is 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide is Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cccc(O)c1.
What is the InChIKey of 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide?
The InChIKey is AGWMHOUTEOVZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4/c1-9-13(15)14(19(22)23)17-18(9)7-3-6-12(21)16-10-4-2-5-11(20)8-10/h2,4-5,8,20H,3,6-7H2,1H3,(H,16,21).
What are the key properties of 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide?
4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide has a molecular weight of 338.75 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide is sourced from PubChem (CID 5054315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).