1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine

C11H19N5O2 — CID 66012434

IUPAC1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC1CCCC1N
InChIInChI=1S/C11H19N5O2/c1-3-15-11(10(16(17)18)7(2)14-15)13-9-6-4-5-8(9)12/h8-9,13H,3-6,12H2,1-2H3
InChIKeyVVLHGIZTCPVPLR-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.41
Rot. Bonds4

About 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine

1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine (PubChem CID 66012434) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine
PubChem CID66012434
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC1CCCC1N
InChIInChI=1S/C11H19N5O2/c1-3-15-11(10(16(17)18)7(2)14-15)13-9-6-4-5-8(9)12/h8-9,13H,3-6,12H2,1-2H3
InChIKeyVVLHGIZTCPVPLR-UHFFFAOYSA-N
XLogP1.41
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

trans-(1R,2R)-2-N-(1,3-dimethyl-4-nitropyrazol-5-yl)cyclohexane-1,2-diamine
CID 93453939
N-cyclohexyl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66012574
1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66010827
3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol
CID 66011060
1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine
CID 66011038
4-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 66013550
1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)cycloheptane-1,2-diamine
CID 66017704
2-[[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 66013598
N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66012242
N-(2-ethylcyclohexyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66029462
N-(1,1-dioxothian-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66011549
3-methyl-4-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-propylpyrazol-5-amine
CID 80715312

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine (CID 66012434) is 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine is CCn1nc(C)c([N+](=O)[O-])c1NC1CCCC1N.
What is the InChIKey of 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine?
The InChIKey is VVLHGIZTCPVPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-15-11(10(16(17)18)7(2)14-15)13-9-6-4-5-8(9)12/h8-9,13H,3-6,12H2,1-2H3.
What are the key properties of 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine?
1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine has a molecular weight of 253.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine is sourced from PubChem (CID 66012434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).