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

C14H11F2N3S — CID 79803023

IUPAC4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
SMILESCc1cscc1-c1[nH]nc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3S/c1-7-5-20-6-10(7)13-12(14(17)19-18-13)9-3-2-8(15)4-11(9)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyCYUJGAUGZUXNNT-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.97
Rot. Bonds2

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

4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine (PubChem CID 79803023) has the molecular formula C14H11F2N3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
PubChem CID79803023
Molecular FormulaC14H11F2N3S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
SMILESCc1cscc1-c1[nH]nc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3S/c1-7-5-20-6-10(7)13-12(14(17)19-18-13)9-3-2-8(15)4-11(9)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyCYUJGAUGZUXNNT-UHFFFAOYSA-N
XLogP3.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine (CID 79803023) is 4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine is Cc1cscc1-c1[nH]nc(N)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
The InChIKey is CYUJGAUGZUXNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3S/c1-7-5-20-6-10(7)13-12(14(17)19-18-13)9-3-2-8(15)4-11(9)16/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine has a molecular weight of 291.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79803023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).