1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

C15H21FN4 — CID 62134637

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H21FN4/c1-11-6-13(16)4-5-14(11)15(7-17)19(2)9-12-8-18-20(3)10-12/h4-6,8,10,15H,7,9,17H2,1-3H3
InChIKeyKUFOGEOSHZMJSH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.00
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 62134637) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID62134637
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H21FN4/c1-11-6-13(16)4-5-14(11)15(7-17)19(2)9-12-8-18-20(3)10-12/h4-6,8,10,15H,7,9,17H2,1-3H3
InChIKeyKUFOGEOSHZMJSH-UHFFFAOYSA-N
XLogP2.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438129
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438648
1-(2,4-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438696
N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
CID 62135824
1-(3-bromo-4-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 105404837
1-(4-bromo-3-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 66474823
1-(2-bromo-5-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 66155848
1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438741
1-[3-(difluoromethyl)phenyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 115526821
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62135312
[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 64770261
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 83088744

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 62134637) is 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is Cc1cc(F)ccc1C(CN)N(C)Cc1cnn(C)c1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is KUFOGEOSHZMJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-11-6-13(16)4-5-14(11)15(7-17)19(2)9-12-8-18-20(3)10-12/h4-6,8,10,15H,7,9,17H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 276.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62134637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).