1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine

C13H16FN3 — CID 83850555

IUPAC1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1[nH]nc(-c2ccc(F)c(C)c2)c1C
InChIInChI=1S/C13H16FN3/c1-8-6-10(4-5-11(8)14)13-9(2)12(7-15-3)16-17-13/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyFUWRPSOTZMIFTN-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.55
Rot. Bonds3

About 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine

1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine (PubChem CID 83850555) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
PubChem CID83850555
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1[nH]nc(-c2ccc(F)c(C)c2)c1C
InChIInChI=1S/C13H16FN3/c1-8-6-10(4-5-11(8)14)13-9(2)12(7-15-3)16-17-13/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyFUWRPSOTZMIFTN-UHFFFAOYSA-N
XLogP2.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methylphenyl)-1H-indazole
CID 82073034
1-[3-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106886849
[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83848218
4-bromo-3-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 116861994
5-chloro-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82298915
3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 11382493
1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876693
N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847112
6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole
CID 163234729
[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 83848092
6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823562
6-[4-bromo-5-(methylaminomethyl)-1H-pyrazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 84611108

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine (CID 83850555) is 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine is CNCc1[nH]nc(-c2ccc(F)c(C)c2)c1C.
What is the InChIKey of 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine?
The InChIKey is FUWRPSOTZMIFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-8-6-10(4-5-11(8)14)13-9(2)12(7-15-3)16-17-13/h4-6,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine?
1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83850555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).