N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine

C11H14FN3S — CID 122165718

IUPACN-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(NCc2ccc(F)s2)n1
InChIInChI=1S/C11H14FN3S/c1-8(2)15-6-5-11(14-15)13-7-9-3-4-10(12)16-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyPVINQEYACNLQJQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.28
Rot. Bonds4

About N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine

N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine (PubChem CID 122165718) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine
PubChem CID122165718
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(NCc2ccc(F)s2)n1
InChIInChI=1S/C11H14FN3S/c1-8(2)15-6-5-11(14-15)13-7-9-3-4-10(12)16-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyPVINQEYACNLQJQ-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine (CID 122165718) is N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine is CC(C)n1ccc(NCc2ccc(F)s2)n1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine?
The InChIKey is PVINQEYACNLQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-8(2)15-6-5-11(14-15)13-7-9-3-4-10(12)16-9/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine?
N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine has a molecular weight of 239.32 g/mol, XLogP of 3.28, 4 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-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 122165718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).