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

C14H19N5O3 — CID 2569974

IUPACN-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2(C#N)CCCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O3/c1-10-13(19(21)22)11(2)18(17-10)8-12(20)16-14(9-15)6-4-3-5-7-14/h3-8H2,1-2H3,(H,16,20)
InChIKeyQKUSOEHQTBAKMV-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.75
Rot. Bonds4

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

N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 2569974) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
PubChem CID2569974
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2(C#N)CCCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O3/c1-10-13(19(21)22)11(2)18(17-10)8-12(20)16-14(9-15)6-4-3-5-7-14/h3-8H2,1-2H3,(H,16,20)
InChIKeyQKUSOEHQTBAKMV-UHFFFAOYSA-N
XLogP1.75
TPSA113.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
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

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
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9363225
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 1258999
N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
CID 7886435
N-(cyanomethyl)-2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetamide
CID 3131910
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 749620
N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
CID 749112
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-propylacetamide
CID 1730635
N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2708899
N-cyclohexyl-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 3502302
Acetamide, N-adamantan-1-ylmethyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-
CID 3560992

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (CID 2569974) is N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is Cc1nn(CC(=O)NC2(C#N)CCCCC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is QKUSOEHQTBAKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10-13(19(21)22)11(2)18(17-10)8-12(20)16-14(9-15)6-4-3-5-7-14/h3-8H2,1-2H3,(H,16,20).
What are the key properties of N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 2569974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).