N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide

C14H22N4O3 — CID 749112

IUPACN-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
SMILESCc1nn(CC(=O)N(C)C2CCCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-10-14(18(20)21)11(2)17(15-10)9-13(19)16(3)12-7-5-4-6-8-12/h12H,4-9H2,1-3H3
InChIKeyLQOLCFWHGHJVOP-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.20
Rot. Bonds4

About N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide

N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide (PubChem CID 749112) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
PubChem CID749112
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
SMILESCc1nn(CC(=O)N(C)C2CCCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-10-14(18(20)21)11(2)17(15-10)9-13(19)16(3)12-7-5-4-6-8-12/h12H,4-9H2,1-3H3
InChIKeyLQOLCFWHGHJVOP-UHFFFAOYSA-N
XLogP2.20
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
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

N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2569974
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 7277783
N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9291211
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3145049
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9363225
4-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetyl)morpholine
CID 749623
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 1258999
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 1720543
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5040743
N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
CID 7886435
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 749080
4-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]morpholine
CID 2983582

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide (CID 749112) is N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide is Cc1nn(CC(=O)N(C)C2CCCCC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide?
The InChIKey is LQOLCFWHGHJVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-14(18(20)21)11(2)17(15-10)9-13(19)16(3)12-7-5-4-6-8-12/h12H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide?
N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide has a molecular weight of 294.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 749112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).