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

C12H18N4O3 — CID 9291211

IUPACN-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-8-12(16(18)19)9(2)15(14-8)7-11(17)13-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,13,17)
InChIKeyBNKCBTHVSFRJTE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.47
Rot. Bonds4

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

N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 9291211) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
PubChem CID9291211
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-8-12(16(18)19)9(2)15(14-8)7-11(17)13-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,13,17)
InChIKeyBNKCBTHVSFRJTE-UHFFFAOYSA-N
XLogP1.47
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.47
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-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2569974
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2984724
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 7277783
N-cyclopentyl-4-nitro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 1236011
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3145049
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
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 1720543
Methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]acetate
CID 2077906
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4869766
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5040743
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 749080

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (CID 9291211) is N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is Cc1nn(CC(=O)NC2CCCC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is BNKCBTHVSFRJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-12(16(18)19)9(2)15(14-8)7-11(17)13-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,13,17).
What are the key properties of N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 9291211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).