1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine

C11H14FN3S — CID 122165715

IUPAC1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine
SMILESCCn1cc(C)c(NCc2ccc(F)s2)n1
InChIInChI=1S/C11H14FN3S/c1-3-15-7-8(2)11(14-15)13-6-9-4-5-10(12)16-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyWLMLKLOFLABBEK-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.02
Rot. Bonds4

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

1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine (PubChem CID 122165715) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine
PubChem CID122165715
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC Name1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine
SMILESCCn1cc(C)c(NCc2ccc(F)s2)n1
InChIInChI=1S/C11H14FN3S/c1-3-15-7-8(2)11(14-15)13-6-9-4-5-10(12)16-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyWLMLKLOFLABBEK-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine?
The IUPAC name of 1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine (CID 122165715) is 1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine is CCn1cc(C)c(NCc2ccc(F)s2)n1.
What is the InChIKey of 1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine?
The InChIKey is WLMLKLOFLABBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-3-15-7-8(2)11(14-15)13-6-9-4-5-10(12)16-9/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine?
1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine has a molecular weight of 239.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine is sourced from PubChem (CID 122165715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).