N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

C11H14FN3S — CID 122165812

IUPACN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCc1cnn(C)c1CNCc1ccc(F)s1
InChIInChI=1S/C11H14FN3S/c1-8-5-14-15(2)10(8)7-13-6-9-3-4-11(12)16-9/h3-5,13H,6-7H2,1-2H3
InChIKeySAJLFJMUZSDCDH-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.22
Rot. Bonds4

About N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (PubChem CID 122165812) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
PubChem CID122165812
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCc1cnn(C)c1CNCc1ccc(F)s1
InChIInChI=1S/C11H14FN3S/c1-8-5-14-15(2)10(8)7-13-6-9-3-4-11(12)16-9/h3-5,13H,6-7H2,1-2H3
InChIKeySAJLFJMUZSDCDH-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11026923, Example 65
CID 155773326
1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435410
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435419
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methyl-2-thienyl)azepane
CID 46366473
1-(4-methylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 53617924
1-ethyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 72124368
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 134793265
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43435361
1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 45818242
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 45818243
n-((3-Methylthiophen-2-yl)methyl)-2-(1h-pyrazol-1-yl)ethan-1-amine
CID 53533966
2-(4-methylpyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 53623601

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (CID 122165812) is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is Cc1cnn(C)c1CNCc1ccc(F)s1.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The InChIKey is SAJLFJMUZSDCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-8-5-14-15(2)10(8)7-13-6-9-3-4-11(12)16-9/h3-5,13H,6-7H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine has a molecular weight of 239.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is sourced from PubChem (CID 122165812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).