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

C12H21N5O2 — CID 116653456

IUPAC1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine
SMILESCCc1nn(C)c(N(C)C(CN)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O2/c1-4-9-11(17(18)19)12(16(3)14-9)15(2)10(7-13)8-5-6-8/h8,10H,4-7,13H2,1-3H3
InChIKeyLXNAMSGAPNGZHB-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.06
Rot. Bonds6

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

1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine (PubChem CID 116653456) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine
PubChem CID116653456
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine
SMILESCCc1nn(C)c(N(C)C(CN)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O2/c1-4-9-11(17(18)19)12(16(3)14-9)15(2)10(7-13)8-5-6-8/h8,10H,4-7,13H2,1-3H3
InChIKeyLXNAMSGAPNGZHB-UHFFFAOYSA-N
XLogP1.06
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
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

N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423374
4-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-methylamino]cyclohexan-1-one
CID 79120535
3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668
4-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79118877
N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
CID 66182633
3-[cyclobutyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 102868690
1-cyclopropyl-N-(3,5-difluoro-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 116653377
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
CID 66013849
2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid
CID 66015955
1-cyclopropyl-N-(6-methoxy-5-nitropyrimidin-4-yl)-N-methylethane-1,2-diamine
CID 116653219
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-methylamino]-2-methylpropanoic acid
CID 66015351
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66016624

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine (CID 116653456) is 1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine is CCc1nn(C)c(N(C)C(CN)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of 1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine?
The InChIKey is LXNAMSGAPNGZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-9-11(17(18)19)12(16(3)14-9)15(2)10(7-13)8-5-6-8/h8,10H,4-7,13H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine?
1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine has a molecular weight of 267.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116653456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).