N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

C11H13F2N3S — CID 122165852

IUPACN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCc1nn(C)c(F)c1CNCc1ccc(F)s1
InChIInChI=1S/C11H13F2N3S/c1-7-9(11(13)16(2)15-7)6-14-5-8-3-4-10(12)17-8/h3-4,14H,5-6H2,1-2H3
InChIKeyJKGVIQZGNMVCDX-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.36
Rot. Bonds4

About N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (PubChem CID 122165852) has the molecular formula C11H13F2N3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
PubChem CID122165852
Molecular FormulaC11H13F2N3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCc1nn(C)c(F)c1CNCc1ccc(F)s1
InChIInChI=1S/C11H13F2N3S/c1-7-9(11(13)16(2)15-7)6-14-5-8-3-4-10(12)17-8/h3-4,14H,5-6H2,1-2H3
InChIKeyJKGVIQZGNMVCDX-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (CID 122165852) is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.
What is the SMILES notation for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The canonical SMILES for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is Cc1nn(C)c(F)c1CNCc1ccc(F)s1.
What is the InChIKey of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The InChIKey is JKGVIQZGNMVCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3S/c1-7-9(11(13)16(2)15-7)6-14-5-8-3-4-10(12)17-8/h3-4,14H,5-6H2,1-2H3.
What are the key properties of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine has a molecular weight of 257.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is sourced from PubChem (CID 122165852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).