1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine

C11H14N4O3 — CID 103079768

IUPAC1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine
SMILESCc1ccc(C(C)Nc2nn(C)cc2[N+](=O)[O-])o1
InChIInChI=1S/C11H14N4O3/c1-7-4-5-10(18-7)8(2)12-11-9(15(16)17)6-14(3)13-11/h4-6,8H,1-3H3,(H,12,13)
InChIKeyFBXDUUJFEBUAMR-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.40
Rot. Bonds4

About 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine

1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine (PubChem CID 103079768) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine
PubChem CID103079768
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine
SMILESCc1ccc(C(C)Nc2nn(C)cc2[N+](=O)[O-])o1
InChIInChI=1S/C11H14N4O3/c1-7-4-5-10(18-7)8(2)12-11-9(15(16)17)6-14(3)13-11/h4-6,8H,1-3H3,(H,12,13)
InChIKeyFBXDUUJFEBUAMR-UHFFFAOYSA-N
XLogP2.40
TPSA86.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.40
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

6-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80800953
1-methyl-N-(3-methylbutan-2-yl)-4-nitropyrazol-3-amine
CID 103079678
3-bromo-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 104507839
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 61227487
2,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitroimidazol-4-amine
CID 103554791
5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
CID 83268567
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 43718730
1-methyl-4-nitro-N-pent-4-en-2-ylpyrazol-3-amine
CID 103080103
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 62477045
6-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 112726541
N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine
CID 103079967
N-[1-(5-methylfuran-2-yl)ethyl]-6-nitropyridin-3-amine
CID 62543911

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine?
The IUPAC name of 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine (CID 103079768) is 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine is Cc1ccc(C(C)Nc2nn(C)cc2[N+](=O)[O-])o1.
What is the InChIKey of 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine?
The InChIKey is FBXDUUJFEBUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-4-5-10(18-7)8(2)12-11-9(15(16)17)6-14(3)13-11/h4-6,8H,1-3H3,(H,12,13).
What are the key properties of 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine?
1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine has a molecular weight of 250.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine is sourced from PubChem (CID 103079768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).