N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine

C17H25N5 — CID 84615161

IUPACN-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
SMILESCNCc1cn(-c2ccc(N3CCN(C)CC3)cc2)nc1C
InChIInChI=1S/C17H25N5/c1-14-15(12-18-2)13-22(19-14)17-6-4-16(5-7-17)21-10-8-20(3)9-11-21/h4-7,13,18H,8-12H2,1-3H3
InChIKeyXOUNDJVSTSQTOC-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.65
Rot. Bonds4

About N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine

N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine (PubChem CID 84615161) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
PubChem CID84615161
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
SMILESCNCc1cn(-c2ccc(N3CCN(C)CC3)cc2)nc1C
InChIInChI=1S/C17H25N5/c1-14-15(12-18-2)13-22(19-14)17-6-4-16(5-7-17)21-10-8-20(3)9-11-21/h4-7,13,18H,8-12H2,1-3H3
InChIKeyXOUNDJVSTSQTOC-UHFFFAOYSA-N
XLogP1.65
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline
CID 84615113
1-[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84615124
N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 79884994
1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 83904750
1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972062
N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
CID 75388335
1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
CID 84615201
[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112725
3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde
CID 84617613
[3,5-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
CID 84760283

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine (CID 84615161) is N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine is CNCc1cn(-c2ccc(N3CCN(C)CC3)cc2)nc1C.
What is the InChIKey of N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine?
The InChIKey is XOUNDJVSTSQTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-14-15(12-18-2)13-22(19-14)17-6-4-16(5-7-17)21-10-8-20(3)9-11-21/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine?
N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine has a molecular weight of 299.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 84615161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).