1-[(3-fluorothiophen-2-yl)methyl]pyrazole

C8H7FN2S — CID 141287281

IUPAC1-[(3-fluorothiophen-2-yl)methyl]pyrazole
SMILESFc1ccsc1Cn1cccn1
InChIInChI=1S/C8H7FN2S/c9-7-2-5-12-8(7)6-11-4-1-3-10-11/h1-5H,6H2
InChIKeySNKLHTNHPHJDQC-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.13
Rot. Bonds2

About 1-[(3-fluorothiophen-2-yl)methyl]pyrazole

1-[(3-fluorothiophen-2-yl)methyl]pyrazole (PubChem CID 141287281) has the molecular formula C8H7FN2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[(3-fluorothiophen-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(3-fluorothiophen-2-yl)methyl]pyrazole
PubChem CID141287281
Molecular FormulaC8H7FN2S
Molecular Weight182.22 g/mol
Exact Mass182.03
IUPAC Name1-[(3-fluorothiophen-2-yl)methyl]pyrazole
SMILESFc1ccsc1Cn1cccn1
InChIInChI=1S/C8H7FN2S/c9-7-2-5-12-8(7)6-11-4-1-3-10-11/h1-5H,6H2
InChIKeySNKLHTNHPHJDQC-UHFFFAOYSA-N
XLogP2.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 2517659
Thieno(2,3-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide
CID 3087134
1-Phenyl-3-(2-thienyl)pyrazole
CID 12026713
1-(4-Fluorophenyl)-4-thiophen-2-ylpyrazole
CID 134965137
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 134793265
1-Methyl-4-(2-thienyl)pyrazole
CID 12619266
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[(3-methyl-2-thienyl)methyl]ethanamine
CID 50984756
n-((3-Methylthiophen-2-yl)methyl)-2-(1h-pyrazol-1-yl)ethan-1-amine
CID 53533966
3-pyrazol-1-yl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 53620199
N-methyl-2-(1-methyl-1H-pyrazol-4-yl)-N-[(5-methyl-2-thienyl)methyl]ethanamine
CID 77085606
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 121545036
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[(5-ethyl-2-thienyl)methyl]ethanamine
CID 131928446

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorothiophen-2-yl)methyl]pyrazole?
The IUPAC name of 1-[(3-fluorothiophen-2-yl)methyl]pyrazole (CID 141287281) is 1-[(3-fluorothiophen-2-yl)methyl]pyrazole.
What is the SMILES notation for 1-[(3-fluorothiophen-2-yl)methyl]pyrazole?
The canonical SMILES for 1-[(3-fluorothiophen-2-yl)methyl]pyrazole is Fc1ccsc1Cn1cccn1.
What is the InChIKey of 1-[(3-fluorothiophen-2-yl)methyl]pyrazole?
The InChIKey is SNKLHTNHPHJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S/c9-7-2-5-12-8(7)6-11-4-1-3-10-11/h1-5H,6H2.
What are the key properties of 1-[(3-fluorothiophen-2-yl)methyl]pyrazole?
1-[(3-fluorothiophen-2-yl)methyl]pyrazole has a molecular weight of 182.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorothiophen-2-yl)methyl]pyrazole is sourced from PubChem (CID 141287281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).