N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C15H19ClFN3 — CID 79149914

IUPACN-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)cnn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFN3/c1-10-11(8-18-15(2,3)4)9-19-20(10)12-5-6-13(16)14(17)7-12/h5-7,9,18H,8H2,1-4H3
InChIKeyLXJXFYVTRCDZSR-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.86
Rot. Bonds3

About N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79149914) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79149914
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC NameN-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)cnn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFN3/c1-10-11(8-18-15(2,3)4)9-19-20(10)12-5-6-13(16)14(17)7-12/h5-7,9,18H,8H2,1-4H3
InChIKeyLXJXFYVTRCDZSR-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440670
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050327
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 54982311
1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 79149820
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde
CID 79150340
N-[[1-(4-chloro-3-fluorophenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 79132548
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
CID 79149054
N-[[1-(4-chloro-3-fluorophenyl)-5-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79132895
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 105409527
2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440653

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79149914) is N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1c(CNC(C)(C)C)cnn1-c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LXJXFYVTRCDZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-10-11(8-18-15(2,3)4)9-19-20(10)12-5-6-13(16)14(17)7-12/h5-7,9,18H,8H2,1-4H3.
What are the key properties of N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.79 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79149914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).