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

C11H14FN3S — CID 122165814

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCc1cc(CNCc2ccc(F)s2)nn1C
InChIInChI=1S/C11H14FN3S/c1-8-5-9(14-15(8)2)6-13-7-10-3-4-11(12)16-10/h3-5,13H,6-7H2,1-2H3
InChIKeyPBRKISTUPSDWIH-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.22
Rot. Bonds4

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

N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (PubChem CID 122165814) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
PubChem CID122165814
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCc1cc(CNCc2ccc(F)s2)nn1C
InChIInChI=1S/C11H14FN3S/c1-8-5-9(14-15(8)2)6-13-7-10-3-4-11(12)16-10/h3-5,13H,6-7H2,1-2H3
InChIKeyPBRKISTUPSDWIH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (CID 122165814) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is Cc1cc(CNCc2ccc(F)s2)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The InChIKey is PBRKISTUPSDWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-8-5-9(14-15(8)2)6-13-7-10-3-4-11(12)16-10/h3-5,13H,6-7H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
N-[(1,5-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-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is sourced from PubChem (CID 122165814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).