N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

C17H24FN3 — CID 66442277

IUPACN-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCCc1c(CNCC(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C17H24FN3/c1-4-7-16-14(11-19-10-13(2)3)12-20-21(16)17-9-6-5-8-15(17)18/h5-6,8-9,12-13,19H,4,7,10-11H2,1-3H3
InChIKeyFLPQUKQPIBYVIM-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.71
Rot. Bonds7

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

N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66442277) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66442277
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCCc1c(CNCC(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C17H24FN3/c1-4-7-16-14(11-19-10-13(2)3)12-20-21(16)17-9-6-5-8-15(17)18/h5-6,8-9,12-13,19H,4,7,10-11H2,1-3H3
InChIKeyFLPQUKQPIBYVIM-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66441277
N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441080
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441882
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442082
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844
N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66440776
N-[[1-[2-(dimethylamino)ethyl]-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66441173
4-(chloromethyl)-5-ethyl-1-(2-fluorophenyl)pyrazole
CID 66438366
N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441481
N-[[1-(4-chloro-3-fluorophenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 79132548
N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441880
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66442277) is N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is CCCc1c(CNCC(C)C)cnn1-c1ccccc1F.
What is the InChIKey of N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FLPQUKQPIBYVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-7-16-14(11-19-10-13(2)3)12-20-21(16)17-9-6-5-8-15(17)18/h5-6,8-9,12-13,19H,4,7,10-11H2,1-3H3.
What are the key properties of N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66442277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).