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

C14H22N4O3 — CID 5055739

IUPACN-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide
SMILESCc1cc([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1
InChIInChI=1S/C14H22N4O3/c1-11-10-13(18(20)21)16-17(11)9-5-8-14(19)15-12-6-3-2-4-7-12/h10,12H,2-9H2,1H3,(H,15,19)
InChIKeyPGUSCEJVJVBQAW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.33
Rot. Bonds6

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

N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide (PubChem CID 5055739) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide
PubChem CID5055739
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide
SMILESCc1cc([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1
InChIInChI=1S/C14H22N4O3/c1-11-10-13(18(20)21)16-17(11)9-5-8-14(19)15-12-6-3-2-4-7-12/h10,12H,2-9H2,1H3,(H,15,19)
InChIKeyPGUSCEJVJVBQAW-UHFFFAOYSA-N
XLogP2.33
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.33
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

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexylbutanamide
CID 757094
N-Cyclohexyl-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 749619
N-cycloheptyl-3-{3-nitro-5-methyl-1H-pyrazol-1-yl}propanamide
CID 843625
N-Cyclohexyl-N-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 752935
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 749077
1-({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-2-methylpiperidine
CID 3887419
4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-cyclohexylbutanamide
CID 4080128
4-(4-Bromo-5-methyl-3-nitro-1H-pyrazol-1-YL)-N-(prop-2-EN-1-YL)butanamide
CID 4080129
1-(2-Ethylpiperidyl)-2-(5-methyl-3-nitropyrazolyl)ethan-1-one
CID 3099443
2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
CID 19283151
2,2,3,3,4,4,4-heptafluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]butanamide
CID 19283156
1-({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)azepane
CID 813422

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide (CID 5055739) is N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide is Cc1cc([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide?
The InChIKey is PGUSCEJVJVBQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-10-13(18(20)21)16-17(11)9-5-8-14(19)15-12-6-3-2-4-7-12/h10,12H,2-9H2,1H3,(H,15,19).
What are the key properties of N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide?
N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide has a molecular weight of 294.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(5-methyl-3-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 5055739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).