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

C20H26N4O3 — CID 55588793

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)N(C)C2CCC(c3ccccc3)CC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C20H26N4O3/c1-14-20(24(26)27)15(2)23(21-14)13-19(25)22(3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,17-18H,9-13H2,1-3H3
InChIKeyNHFVPISMJDXQQN-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.59
Rot. Bonds5

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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide (PubChem CID 55588793) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide
PubChem CID55588793
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)N(C)C2CCC(c3ccccc3)CC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C20H26N4O3/c1-14-20(24(26)27)15(2)23(21-14)13-19(25)22(3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,17-18H,9-13H2,1-3H3
InChIKeyNHFVPISMJDXQQN-UHFFFAOYSA-N
XLogP3.59
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.59
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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 51318914
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400038
ethyl (4S)-6-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41093962
N-methyl-2-(2-oxoazocan-1-yl)-N-(4-phenylcyclohexyl)acetamide
CID 55761544
N-[(5-bromothiophen-2-yl)methyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
CID 27839344
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylacetamide
CID 51434962
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112548180
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79382443
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
CID 25102660
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31838096
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 27944743
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 106671484

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide (CID 55588793) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide is Cc1nn(CC(=O)N(C)C2CCC(c3ccccc3)CC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide?
The InChIKey is NHFVPISMJDXQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-20(24(26)27)15(2)23(21-14)13-19(25)22(3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,17-18H,9-13H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)acetamide is sourced from PubChem (CID 55588793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).