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

C14H22N4O3 — CID 7277783

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)NC2CCC(C)CC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-9-4-6-12(7-5-9)15-13(19)8-17-11(3)14(18(20)21)10(2)16-17/h9,12H,4-8H2,1-3H3,(H,15,19)
InChIKeyWTURRZJWHLHIRO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.10
Rot. Bonds4

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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 7277783) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
PubChem CID7277783
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)NC2CCC(C)CC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-9-4-6-12(7-5-9)15-13(19)8-17-11(3)14(18(20)21)10(2)16-17/h9,12H,4-8H2,1-3H3,(H,15,19)
InChIKeyWTURRZJWHLHIRO-UHFFFAOYSA-N
XLogP2.10
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide (CID 7277783) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide is Cc1nn(CC(=O)NC2CCC(C)CC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is WTURRZJWHLHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-4-6-12(7-5-9)15-13(19)8-17-11(3)14(18(20)21)10(2)16-17/h9,12H,4-8H2,1-3H3,(H,15,19).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 2.10, 4 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-methylcyclohexyl)acetamide is sourced from PubChem (CID 7277783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).