N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine

C11H16N4O2 — CID 106177711

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCCC2=CCCC2)n1
InChIInChI=1S/C11H16N4O2/c1-14-8-10(15(16)17)11(13-14)12-7-6-9-4-2-3-5-9/h4,8H,2-3,5-7H2,1H3,(H,12,13)
InChIKeyABKLHBRGUVZKAT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine

N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine (PubChem CID 106177711) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine
PubChem CID106177711
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCCC2=CCCC2)n1
InChIInChI=1S/C11H16N4O2/c1-14-8-10(15(16)17)11(13-14)12-7-6-9-4-2-3-5-9/h4,8H,2-3,5-7H2,1H3,(H,12,13)
InChIKeyABKLHBRGUVZKAT-UHFFFAOYSA-N
XLogP2.24
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 106177696
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
N-ethyl-N'-(1-methyl-4-nitropyrazol-3-yl)propane-1,3-diamine
CID 103080213
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103080085
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 103080080
5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline
CID 106177686
N-[2-(2,4-dichlorophenyl)ethyl]-1-methyl-4-nitropyrazol-3-amine
CID 103079659
N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline
CID 103844182
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 3703125

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine (CID 106177711) is N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine is Cn1cc([N+](=O)[O-])c(NCCC2=CCCC2)n1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine?
The InChIKey is ABKLHBRGUVZKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-8-10(15(16)17)11(13-14)12-7-6-9-4-2-3-5-9/h4,8H,2-3,5-7H2,1H3,(H,12,13).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine?
N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine has a molecular weight of 236.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine is sourced from PubChem (CID 106177711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).