3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid

C10H10FN3O2S — CID 122165729

IUPAC3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(NCc2ccc(F)s2)cc1C(=O)O
InChIInChI=1S/C10H10FN3O2S/c1-14-7(10(15)16)4-9(13-14)12-5-6-2-3-8(11)17-6/h2-4H,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyFBTXWAWEXJBWDS-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.93
Rot. Bonds4

About 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid

3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 122165729) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid
PubChem CID122165729
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(NCc2ccc(F)s2)cc1C(=O)O
InChIInChI=1S/C10H10FN3O2S/c1-14-7(10(15)16)4-9(13-14)12-5-6-2-3-8(11)17-6/h2-4H,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyFBTXWAWEXJBWDS-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid (CID 122165729) is 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid is Cn1nc(NCc2ccc(F)s2)cc1C(=O)O.
What is the InChIKey of 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is FBTXWAWEXJBWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-14-7(10(15)16)4-9(13-14)12-5-6-2-3-8(11)17-6/h2-4H,5H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid?
3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 122165729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).