1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine

C15H21N4O+ — CID 144865414

IUPAC1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCc1[nH][n+](Cc2ccc(CN(C)C)cc2)c(C)c1N=O
InChIInChI=1S/C15H20N4O/c1-11-15(17-20)12(2)19(16-11)10-14-7-5-13(6-8-14)9-18(3)4/h5-8H,9-10H2,1-4H3/p+1
InChIKeyFFPQHNOAUBVMKB-UHFFFAOYSA-O
MW273.36 g/mol
LogP2.43
Rot. Bonds5

About 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine

1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 144865414) has the molecular formula C15H21N4O+ and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine
PubChem CID144865414
Molecular FormulaC15H21N4O+
Molecular Weight273.36 g/mol
Exact Mass273.17
IUPAC Name1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCc1[nH][n+](Cc2ccc(CN(C)C)cc2)c(C)c1N=O
InChIInChI=1S/C15H20N4O/c1-11-15(17-20)12(2)19(16-11)10-14-7-5-13(6-8-14)9-18(3)4/h5-8H,9-10H2,1-4H3/p+1
InChIKeyFFPQHNOAUBVMKB-UHFFFAOYSA-O
XLogP2.43
TPSA52.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine (CID 144865414) is 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine is Cc1[nH][n+](Cc2ccc(CN(C)C)cc2)c(C)c1N=O.
What is the InChIKey of 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is FFPQHNOAUBVMKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O/c1-11-15(17-20)12(2)19(16-11)10-14-7-5-13(6-8-14)9-18(3)4/h5-8H,9-10H2,1-4H3/p+1.
What are the key properties of 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine?
1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 273.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 144865414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).