1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

C16H18FN5 — CID 50965177

IUPAC1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1[nH]cnc1CN(C)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN5/c1-12-16(19-11-18-12)10-21(2)8-13-7-20-22(9-13)15-5-3-14(17)4-6-15/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)
InChIKeyBMRIZVPACFPPLE-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.67
Rot. Bonds5

About 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (PubChem CID 50965177) has the molecular formula C16H18FN5 and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
PubChem CID50965177
Molecular FormulaC16H18FN5
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC Name1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1[nH]cnc1CN(C)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN5/c1-12-16(19-11-18-12)10-21(2)8-13-7-20-22(9-13)15-5-3-14(17)4-6-15/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)
InChIKeyBMRIZVPACFPPLE-UHFFFAOYSA-N
XLogP2.67
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

4-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 131936576
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
3-chloro-2-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]benzoic acid
CID 166333855
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 28955690
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 70761761
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid
CID 154920204
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 18135903
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 71930586
(2S)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-2-propoxypropanamide
CID 96577576

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (CID 50965177) is 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is Cc1[nH]cnc1CN(C)Cc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The InChIKey is BMRIZVPACFPPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5/c1-12-16(19-11-18-12)10-21(2)8-13-7-20-22(9-13)15-5-3-14(17)4-6-15/h3-7,9,11H,8,10H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine has a molecular weight of 299.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 50965177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).