N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine

C12H21N5O2 — CID 66012242

IUPACN-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC1(CN)CCCC1
InChIInChI=1S/C12H21N5O2/c1-3-16-11(10(17(18)19)9(2)15-16)14-12(8-13)6-4-5-7-12/h14H,3-8,13H2,1-2H3
InChIKeyYDYVMRLYINUGOK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.80
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine

N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine (PubChem CID 66012242) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
PubChem CID66012242
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC1(CN)CCCC1
InChIInChI=1S/C12H21N5O2/c1-3-16-11(10(17(18)19)9(2)15-16)14-12(8-13)6-4-5-7-12/h14H,3-8,13H2,1-2H3
InChIKeyYDYVMRLYINUGOK-UHFFFAOYSA-N
XLogP1.80
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.80
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

2-[1-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclopentyl]acetic acid
CID 66010819
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 105418962
4-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]oxane-4-carboxylic acid
CID 115292224
N-cyclohexyl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66012574
3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
CID 113485574
N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine
CID 63886836
1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine
CID 66012434
N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66013610
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propane-1,3-diol
CID 66012422
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
2-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2,4-dimethylpentane-1,2-diamine
CID 115310277

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine (CID 66012242) is N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine?
The InChIKey is YDYVMRLYINUGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-16-11(10(17(18)19)9(2)15-16)14-12(8-13)6-4-5-7-12/h14H,3-8,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine?
N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine has a molecular weight of 267.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 66012242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).