N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

C11H14FN3S — CID 122165815

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCc1cc(CNCc2ccc(F)s2)n(C)n1
InChIInChI=1S/C11H14FN3S/c1-8-5-9(15(2)14-8)6-13-7-10-3-4-11(12)16-10/h3-5,13H,6-7H2,1-2H3
InChIKeyHQQLWHVEWGYITL-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.22
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (PubChem CID 122165815) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
PubChem CID122165815
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCc1cc(CNCc2ccc(F)s2)n(C)n1
InChIInChI=1S/C11H14FN3S/c1-8-5-9(15(2)14-8)6-13-7-10-3-4-11(12)16-10/h3-5,13H,6-7H2,1-2H3
InChIKeyHQQLWHVEWGYITL-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (CID 122165815) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is Cc1cc(CNCc2ccc(F)s2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The InChIKey is HQQLWHVEWGYITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-8-5-9(15(2)14-8)6-13-7-10-3-4-11(12)16-10/h3-5,13H,6-7H2,1-2H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
N-[(2,5-dimethylpyrazol-3-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-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is sourced from PubChem (CID 122165815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).