N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline

C16H24N4 — CID 84615113

IUPACN,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline
SMILESCCN(CC)c1ccc(-n2cc(CNC)c(C)n2)cc1
InChIInChI=1S/C16H24N4/c1-5-19(6-2)15-7-9-16(10-8-15)20-12-14(11-17-4)13(3)18-20/h7-10,12,17H,5-6,11H2,1-4H3
InChIKeyCPCBEKKSOZSVSZ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.75
Rot. Bonds6

About N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline

N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline (PubChem CID 84615113) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline
PubChem CID84615113
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline
SMILESCCN(CC)c1ccc(-n2cc(CNC)c(C)n2)cc1
InChIInChI=1S/C16H24N4/c1-5-19(6-2)15-7-9-16(10-8-15)20-12-14(11-17-4)13(3)18-20/h7-10,12,17H,5-6,11H2,1-4H3
InChIKeyCPCBEKKSOZSVSZ-UHFFFAOYSA-N
XLogP2.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine
CID 84615184
N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
CID 84615161
1-[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84615124
3-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]benzoic acid
CID 84615132
1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
CID 84615201
1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 83904750
1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84617873
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 86795197
N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84615292
1-[4-(diethylamino)phenyl]triazole-4-carbaldehyde
CID 162427091
N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112725

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline?
The IUPAC name of N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline (CID 84615113) is N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline.
What is the SMILES notation for N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline?
The canonical SMILES for N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline is CCN(CC)c1ccc(-n2cc(CNC)c(C)n2)cc1.
What is the InChIKey of N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline?
The InChIKey is CPCBEKKSOZSVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-19(6-2)15-7-9-16(10-8-15)20-12-14(11-17-4)13(3)18-20/h7-10,12,17H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline?
N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline has a molecular weight of 272.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline is sourced from PubChem (CID 84615113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).