1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

C11H14FN3S — CID 122168697

IUPAC1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1cnn(CCF)c1NCc1cccs1
InChIInChI=1S/C11H14FN3S/c1-9-7-14-15(5-4-12)11(9)13-8-10-3-2-6-16-10/h2-3,6-7,13H,4-5,8H2,1H3
InChIKeyQQLNJKDLZJERIV-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (PubChem CID 122168697) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
PubChem CID122168697
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC Name1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1cnn(CCF)c1NCc1cccs1
InChIInChI=1S/C11H14FN3S/c1-9-7-14-15(5-4-12)11(9)13-8-10-3-2-6-16-10/h2-3,6-7,13H,4-5,8H2,1H3
InChIKeyQQLNJKDLZJERIV-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (CID 122168697) is 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is Cc1cnn(CCF)c1NCc1cccs1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The InChIKey is QQLNJKDLZJERIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-9-7-14-15(5-4-12)11(9)13-8-10-3-2-6-16-10/h2-3,6-7,13H,4-5,8H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine has a molecular weight of 239.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 122168697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).