3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine

C14H22N6O3 — CID 133445796

IUPAC3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(OC)c1CNc1c([N+](=O)[O-])c(CC)nn1C
InChIInChI=1S/C14H22N6O3/c1-6-10-9(14(23-5)19(4)16-10)8-15-13-12(20(21)22)11(7-2)17-18(13)3/h15H,6-8H2,1-5H3
InChIKeyABBMLEJLXAIOAC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.81
Rot. Bonds7

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

3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine (PubChem CID 133445796) has the molecular formula C14H22N6O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine
PubChem CID133445796
Molecular FormulaC14H22N6O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC Name3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(OC)c1CNc1c([N+](=O)[O-])c(CC)nn1C
InChIInChI=1S/C14H22N6O3/c1-6-10-9(14(23-5)19(4)16-10)8-15-13-12(20(21)22)11(7-2)17-18(13)3/h15H,6-8H2,1-5H3
InChIKeyABBMLEJLXAIOAC-UHFFFAOYSA-N
XLogP1.81
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-methyl-2-nitroaniline
CID 133445731
N-benzyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66016746
methyl 3-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propanoate
CID 66015783
3-ethyl-1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-5-amine
CID 66015007
N-ethyl-N'-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66015428
3-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-nitrobenzene-1,3-diamine
CID 122159788
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-fluoro-4-nitroaniline
CID 133445757
2-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 133445565
2-[[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]methyl]-6-methoxyphenol
CID 133448261
5-chloro-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 133445726
[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-nitrophenyl]methanol
CID 133438795
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N'-propan-2-ylethane-1,2-diamine
CID 66015633

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine?
The IUPAC name of 3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine (CID 133445796) is 3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for 3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine is CCc1nn(C)c(OC)c1CNc1c([N+](=O)[O-])c(CC)nn1C.
What is the InChIKey of 3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine?
The InChIKey is ABBMLEJLXAIOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3/c1-6-10-9(14(23-5)19(4)16-10)8-15-13-12(20(21)22)11(7-2)17-18(13)3/h15H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine?
3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine has a molecular weight of 322.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 133445796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).