N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide

C15H24N4O3 — CID 178068149

IUPACN-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide
SMILESCC(NC(=O)CCCn1cc([N+](=O)[O-])cn1)C1CCCCC1
InChIInChI=1S/C15H24N4O3/c1-12(13-6-3-2-4-7-13)17-15(20)8-5-9-18-11-14(10-16-18)19(21)22/h10-13H,2-9H2,1H3,(H,17,20)
InChIKeyGGNXKIMUPIBVKT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.66
Rot. Bonds7

About N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide

N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide (PubChem CID 178068149) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide
PubChem CID178068149
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide
SMILESCC(NC(=O)CCCn1cc([N+](=O)[O-])cn1)C1CCCCC1
InChIInChI=1S/C15H24N4O3/c1-12(13-6-3-2-4-7-13)17-15(20)8-5-9-18-11-14(10-16-18)19(21)22/h10-13H,2-9H2,1H3,(H,17,20)
InChIKeyGGNXKIMUPIBVKT-UHFFFAOYSA-N
XLogP2.66
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.66
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

N-cycloheptyl-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 1504304
N-cycloheptyl-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1504356
4-(4-nitro-1H-pyrazol-1-yl)-N-(propan-2-yl)butanamide
CID 1511617
N-cycloheptyl-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4916228
(2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 177043302
N-[2-(4-nitropyrazol-1-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 177969657
N-[2-(4-nitropyrazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 121523406
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 122141416
2-(4-nitropyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]acetamide
CID 122141727
2-(4-nitropyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]acetamide
CID 125532401
2-(4-nitropyrazol-1-yl)-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]acetamide
CID 125532402
cis-(1R,3S)-N-[2-(4-nitropyrazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129381577

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide (CID 178068149) is N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide is CC(NC(=O)CCCn1cc([N+](=O)[O-])cn1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide?
The InChIKey is GGNXKIMUPIBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-12(13-6-3-2-4-7-13)17-15(20)8-5-9-18-11-14(10-16-18)19(21)22/h10-13H,2-9H2,1H3,(H,17,20).
What are the key properties of N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide?
N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide has a molecular weight of 308.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-4-(4-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 178068149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).