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

C15H24N4O3 — CID 3502302

IUPACN-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide
SMILESCc1nn(CCCC(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O3/c1-11-15(19(21)22)12(2)18(17-11)10-6-9-14(20)16-13-7-4-3-5-8-13/h13H,3-10H2,1-2H3,(H,16,20)
InChIKeyUESCKNWRFLJPNU-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.64
Rot. Bonds6

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

N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide (PubChem CID 3502302) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide
PubChem CID3502302
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide
SMILESCc1nn(CCCC(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O3/c1-11-15(19(21)22)12(2)18(17-11)10-6-9-14(20)16-13-7-4-3-5-8-13/h13H,3-10H2,1-2H3,(H,16,20)
InChIKeyUESCKNWRFLJPNU-UHFFFAOYSA-N
XLogP2.64
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.64
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 N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide (CID 3502302) is N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide is Cc1nn(CCCC(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide?
The InChIKey is UESCKNWRFLJPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-15(19(21)22)12(2)18(17-11)10-6-9-14(20)16-13-7-4-3-5-8-13/h13H,3-10H2,1-2H3,(H,16,20).
What are the key properties of N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide?
N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide has a molecular weight of 308.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 3502302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).