N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide

C12H18N4O3 — CID 19539729

IUPACN-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-9-11(16(18)19)8-15(14-9)7-6-12(17)13-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,17)
InChIKeyVWRZMNQGASADAW-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.55
Rot. Bonds5

About N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide

N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19539729) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19539729
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-9-11(16(18)19)8-15(14-9)7-6-12(17)13-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,17)
InChIKeyVWRZMNQGASADAW-UHFFFAOYSA-N
XLogP1.55
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.55
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-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
CID 19539837
N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
3-(4-bromo-3-nitropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 19567852
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one
CID 4769395
N-cyclopentyl-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 35762567
3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283158
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539727
N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19578053
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (CID 19539729) is N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is Cc1nn(CCC(=O)NC2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is VWRZMNQGASADAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9-11(16(18)19)8-15(14-9)7-6-12(17)13-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,17).
What are the key properties of N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 266.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19539729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).