N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

C12H18N6O2 — CID 22196621

IUPACN-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1CN(C)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H18N6O2/c1-9-12(10(2)16(4)14-9)7-15(3)8-17-6-11(5-13-17)18(19)20/h5-6H,7-8H2,1-4H3
InChIKeyWQBYSMRCVRGHEA-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.23
Rot. Bonds5

About N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 22196621) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID22196621
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1CN(C)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H18N6O2/c1-9-12(10(2)16(4)14-9)7-15(3)8-17-6-11(5-13-17)18(19)20/h5-6H,7-8H2,1-4H3
InChIKeyWQBYSMRCVRGHEA-UHFFFAOYSA-N
XLogP1.23
TPSA82.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
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-(1-ethylpyrazol-4-yl)-N-methyl-N-[(4-nitropyrazol-1-yl)methyl]methanamine
CID 22194303
3-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393446
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
1-butyl-4-nitropyrazole
CID 50999673
2-methoxy-5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43717728
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
4-nitro-1-octylpyrazole
CID 50999936
5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78990691
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19575645
3-methoxy-N-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515315

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 22196621) is N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nn(C)c(C)c1CN(C)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is WQBYSMRCVRGHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-9-12(10(2)16(4)14-9)7-15(3)8-17-6-11(5-13-17)18(19)20/h5-6H,7-8H2,1-4H3.
What are the key properties of N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 278.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-nitropyrazol-1-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 22196621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).