4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine

C13H9ClFN3S — CID 43334983

IUPAC4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccs2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFN3S/c14-7-3-1-4-8(15)10(7)11-12(17-18-13(11)16)9-5-2-6-19-9/h1-6H,(H3,16,17,18)
InChIKeyFVLYQCKOMSYKPQ-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.18
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine

4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 43334983) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID43334983
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccs2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFN3S/c14-7-3-1-4-8(15)10(7)11-12(17-18-13(11)16)9-5-2-6-19-9/h1-6H,(H3,16,17,18)
InChIKeyFVLYQCKOMSYKPQ-UHFFFAOYSA-N
XLogP4.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
CID 81122411
4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921922
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 61496475
5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 81322945
5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 106861439
5-(2-fluoro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62516545
2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 156585238
4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine
CID 43334977
4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 62501709
5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62920733
5-[(2-chloro-6-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 55111709
5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 55079031

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine (CID 43334983) is 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccs2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is FVLYQCKOMSYKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c14-7-3-1-4-8(15)10(7)11-12(17-18-13(11)16)9-5-2-6-19-9/h1-6H,(H3,16,17,18).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 293.75 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 43334983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).