5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine

C13H7Cl2F2N3S — CID 107962721

IUPAC5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc(Cl)sc2Cl)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H7Cl2F2N3S/c14-9-4-7(12(15)21-9)11-10(13(18)20-19-11)6-2-1-5(16)3-8(6)17/h1-4H,(H3,18,19,20)
InChIKeyZDEDWTJKVZCBGJ-UHFFFAOYSA-N
MW346.19 g/mol
LogP4.97
Rot. Bonds2

About 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine

5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine (PubChem CID 107962721) has the molecular formula C13H7Cl2F2N3S and a molecular weight of 346.19 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
PubChem CID107962721
Molecular FormulaC13H7Cl2F2N3S
Molecular Weight346.19 g/mol
Exact Mass344.97
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc(Cl)sc2Cl)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H7Cl2F2N3S/c14-9-4-7(12(15)21-9)11-10(13(18)20-19-11)6-2-1-5(16)3-8(6)17/h1-4H,(H3,18,19,20)
InChIKeyZDEDWTJKVZCBGJ-UHFFFAOYSA-N
XLogP4.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 64560666
4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79803023
5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 64558550
5-(4,5-dibromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 80535112
4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine
CID 65238813
4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79803180
4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 64560664
4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine
CID 107967195
4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 63036359
5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine
CID 107960252
5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine
CID 63798819
4-(2,4-difluorophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine
CID 66475954

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine (CID 107962721) is 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cc(Cl)sc2Cl)c1-c1ccc(F)cc1F.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is ZDEDWTJKVZCBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2N3S/c14-9-4-7(12(15)21-9)11-10(13(18)20-19-11)6-2-1-5(16)3-8(6)17/h1-4H,(H3,18,19,20).
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 346.19 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107962721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).