2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine

C11H16N6O2 — CID 104695952

IUPAC2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(NCCc2ccnn2C)n1C
InChIInChI=1S/C11H16N6O2/c1-8-14-11(17(18)19)10(15(8)2)12-6-4-9-5-7-13-16(9)3/h5,7,12H,4,6H2,1-3H3
InChIKeyDDVQXOTZCXHQRL-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.02
Rot. Bonds5

About 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine

2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine (PubChem CID 104695952) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine
PubChem CID104695952
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(NCCc2ccnn2C)n1C
InChIInChI=1S/C11H16N6O2/c1-8-14-11(17(18)19)10(15(8)2)12-6-4-9-5-7-13-16(9)3/h5,7,12H,4,6H2,1-3H3
InChIKeyDDVQXOTZCXHQRL-UHFFFAOYSA-N
XLogP1.02
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 103007603
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 102608181
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 104696049
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 103007831
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]acetate
CID 7200415
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 103007631
2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine
CID 47081019
2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitroimidazol-4-amine
CID 103554789
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
6-[2-(2-methylpyrazol-3-yl)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 103007389
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-nitroimidazol-4-amine
CID 103883744
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine?
The IUPAC name of 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine (CID 104695952) is 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine is Cc1nc([N+](=O)[O-])c(NCCc2ccnn2C)n1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine?
The InChIKey is DDVQXOTZCXHQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-8-14-11(17(18)19)10(15(8)2)12-6-4-9-5-7-13-16(9)3/h5,7,12H,4,6H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine?
2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine has a molecular weight of 264.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine is sourced from PubChem (CID 104695952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).