2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide

C16H20N4O3 — CID 2235553

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O3/c1-10(2)13-5-7-14(8-6-13)17-15(21)9-19-12(4)16(20(22)23)11(3)18-19/h5-8,10H,9H2,1-4H3,(H,17,21)
InChIKeySLQJJTHJRGGFCR-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.17
Rot. Bonds5

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 2235553) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID2235553
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O3/c1-10(2)13-5-7-14(8-6-13)17-15(21)9-19-12(4)16(20(22)23)11(3)18-19/h5-8,10H,9H2,1-4H3,(H,17,21)
InChIKeySLQJJTHJRGGFCR-UHFFFAOYSA-N
XLogP3.17
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
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

Ripazepam
CID 33474
N-(2,3-dihydro-1H-inden-5-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 1225817
2-methyl-4-nitro-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 712435
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 1251996
N-benzyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259173
2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamide
CID 1504530
N-(4-cyanophenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 2235753
N-(4-acetylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2419909
2-(5-Methyl-3-nitro-pyrazol-1-yl)-N-(1-phenyl-ethyl)-acetamide
CID 2861112
N-{4-[N-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)ethanehydrazonoyl]phenyl}cyclopentanecarboxamide
CID 5433119
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanehydrazide
CID 9665112
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 997550

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 2235553) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is SLQJJTHJRGGFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)13-5-7-14(8-6-13)17-15(21)9-19-12(4)16(20(22)23)11(3)18-19/h5-8,10H,9H2,1-4H3,(H,17,21).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2235553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).