1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine

C14H17F2N3S — CID 63817952

IUPAC1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(Sc2ccc(F)cc2F)c1CC(C)N
InChIInChI=1S/C14H17F2N3S/c1-8(17)6-11-9(2)18-19(3)14(11)20-13-5-4-10(15)7-12(13)16/h4-5,7-8H,6,17H2,1-3H3
InChIKeyUFBPMPBUCZOBHW-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.05
Rot. Bonds4

About 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine

1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine (PubChem CID 63817952) has the molecular formula C14H17F2N3S and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
PubChem CID63817952
Molecular FormulaC14H17F2N3S
Molecular Weight297.37 g/mol
Exact Mass297.11
IUPAC Name1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(Sc2ccc(F)cc2F)c1CC(C)N
InChIInChI=1S/C14H17F2N3S/c1-8(17)6-11-9(2)18-19(3)14(11)20-13-5-4-10(15)7-12(13)16/h4-5,7-8H,6,17H2,1-3H3
InChIKeyUFBPMPBUCZOBHW-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine
CID 63757028
1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine
CID 55262130
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine
CID 63815275
1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63818946
1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine
CID 63817878
1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 106927164
1-[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63817911
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine
CID 63756678
3-[4-(2-aminopropyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 63820201
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63815150

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine (CID 63817952) is 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine is Cc1nn(C)c(Sc2ccc(F)cc2F)c1CC(C)N.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The InChIKey is UFBPMPBUCZOBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3S/c1-8(17)6-11-9(2)18-19(3)14(11)20-13-5-4-10(15)7-12(13)16/h4-5,7-8H,6,17H2,1-3H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine?
1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine has a molecular weight of 297.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 63817952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).