4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine

C9H10FN3S — CID 70393584

IUPAC4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine
SMILESCc1sc(F)c(-c2cn[nH]c2N)c1C
InChIInChI=1S/C9H10FN3S/c1-4-5(2)14-8(10)7(4)6-3-12-13-9(6)11/h3H,1-2H3,(H3,11,12,13)
InChIKeyBTUKYWPUDJDSQJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.48
Rot. Bonds1

About 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine

4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine (PubChem CID 70393584) has the molecular formula C9H10FN3S and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine
PubChem CID70393584
Molecular FormulaC9H10FN3S
Molecular Weight211.26 g/mol
Exact Mass211.06
IUPAC Name4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine
SMILESCc1sc(F)c(-c2cn[nH]c2N)c1C
InChIInChI=1S/C9H10FN3S/c1-4-5(2)14-8(10)7(4)6-3-12-13-9(6)11/h3H,1-2H3,(H3,11,12,13)
InChIKeyBTUKYWPUDJDSQJ-UHFFFAOYSA-N
XLogP2.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine (CID 70393584) is 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine is Cc1sc(F)c(-c2cn[nH]c2N)c1C.
What is the InChIKey of 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine?
The InChIKey is BTUKYWPUDJDSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3S/c1-4-5(2)14-8(10)7(4)6-3-12-13-9(6)11/h3H,1-2H3,(H3,11,12,13).
What are the key properties of 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine?
4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine has a molecular weight of 211.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 70393584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).