4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine

C11H13FN4 — CID 82236296

IUPAC4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine
SMILESCN(Cc1ccc(F)cc1)c1cn[nH]c1N
InChIInChI=1S/C11H13FN4/c1-16(10-6-14-15-11(10)13)7-8-2-4-9(12)5-3-8/h2-6H,7H2,1H3,(H3,13,14,15)
InChIKeyKYNNUIFTZDCOES-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.77
Rot. Bonds3

About 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine

4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine (PubChem CID 82236296) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine
PubChem CID82236296
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine
SMILESCN(Cc1ccc(F)cc1)c1cn[nH]c1N
InChIInChI=1S/C11H13FN4/c1-16(10-6-14-15-11(10)13)7-8-2-4-9(12)5-3-8/h2-6H,7H2,1H3,(H3,13,14,15)
InChIKeyKYNNUIFTZDCOES-UHFFFAOYSA-N
XLogP1.77
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236923
4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine
CID 82236914
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246480
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82237860
6-N-[(4-fluorophenyl)methyl]-6-N-methylisoquinoline-5,6-diamine
CID 106947676
2-chloro-4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554599
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80794458
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 113388103
5-bromo-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794231
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine (CID 82236296) is 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine is CN(Cc1ccc(F)cc1)c1cn[nH]c1N.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine?
The InChIKey is KYNNUIFTZDCOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-16(10-6-14-15-11(10)13)7-8-2-4-9(12)5-3-8/h2-6H,7H2,1H3,(H3,13,14,15).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine?
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine has a molecular weight of 220.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).