4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid

C10H10FN3O2S — CID 122165760

IUPAC4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid
SMILESCn1cc(NCc2ccc(F)s2)c(C(=O)O)n1
InChIInChI=1S/C10H10FN3O2S/c1-14-5-7(9(13-14)10(15)16)12-4-6-2-3-8(11)17-6/h2-3,5,12H,4H2,1H3,(H,15,16)
InChIKeyLZLIBZWIAYXFPO-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.93
Rot. Bonds4

About 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid

4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid (PubChem CID 122165760) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid
PubChem CID122165760
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid
SMILESCn1cc(NCc2ccc(F)s2)c(C(=O)O)n1
InChIInChI=1S/C10H10FN3O2S/c1-14-5-7(9(13-14)10(15)16)12-4-6-2-3-8(11)17-6/h2-3,5,12H,4H2,1H3,(H,15,16)
InChIKeyLZLIBZWIAYXFPO-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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Related Compounds

N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126967451
4-[(2,3-difluorophenyl)methylamino]-1-methylpyrazole-3-carboxylic acid
CID 19624785
3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 122165729
2-[5-[(5-fluorothiophen-2-yl)methylamino]-3-methylpyrazol-1-yl]acetic acid;hydrochloride
CID 126968101
1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine
CID 122165715
1-methyl-4-[(3-propoxyphenyl)methylamino]pyrazole-3-carboxylic acid
CID 19624792
1-methyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazole-3-carboxylic acid
CID 19624801
3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103269043
4-[(5-ethylthiophen-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 106006335
1-[(2S)-butan-2-yl]-5-[[(5-fluorothiophen-2-yl)methylamino]methyl]pyrazole-3-carboxylic acid
CID 124932278
1-ethyl-4-[(2-fluorophenyl)methylamino]pyrazole-3-carboxylic acid
CID 19624811
3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine
CID 103909020

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid (CID 122165760) is 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid is Cn1cc(NCc2ccc(F)s2)c(C(=O)O)n1.
What is the InChIKey of 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is LZLIBZWIAYXFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-14-5-7(9(13-14)10(15)16)12-4-6-2-3-8(11)17-6/h2-3,5,12H,4H2,1H3,(H,15,16).
What are the key properties of 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid?
4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-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 4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 122165760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).