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

C10H12FN3S — CID 122165714

IUPACN-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine
SMILESCc1cn(C)nc1NCc1ccc(F)s1
InChIInChI=1S/C10H12FN3S/c1-7-6-14(2)13-10(7)12-5-8-3-4-9(11)15-8/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyBKQHYLXUPBODJP-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.54
Rot. Bonds3

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

N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine (PubChem CID 122165714) has the molecular formula C10H12FN3S and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine
PubChem CID122165714
Molecular FormulaC10H12FN3S
Molecular Weight225.29 g/mol
Exact Mass225.07
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine
SMILESCc1cn(C)nc1NCc1ccc(F)s1
InChIInChI=1S/C10H12FN3S/c1-7-6-14(2)13-10(7)12-5-8-3-4-9(11)15-8/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyBKQHYLXUPBODJP-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine 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-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine (CID 122165714) is N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine is Cc1cn(C)nc1NCc1ccc(F)s1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine?
The InChIKey is BKQHYLXUPBODJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3S/c1-7-6-14(2)13-10(7)12-5-8-3-4-9(11)15-8/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine?
N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine has a molecular weight of 225.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethylpyrazol-3-amine is sourced from PubChem (CID 122165714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).