4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine

C12H12FN3S — CID 117376095

IUPAC4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(SC2CC2)c(F)c1
InChIInChI=1S/C12H12FN3S/c13-10-5-7(9-6-15-16-12(9)14)1-4-11(10)17-8-2-3-8/h1,4-6,8H,2-3H2,(H3,14,15,16)
InChIKeyYUESJQTYNUSDDN-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.05
Rot. Bonds3

About 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine

4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine (PubChem CID 117376095) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID117376095
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(SC2CC2)c(F)c1
InChIInChI=1S/C12H12FN3S/c13-10-5-7(9-6-15-16-12(9)14)1-4-11(10)17-8-2-3-8/h1,4-6,8H,2-3H2,(H3,14,15,16)
InChIKeyYUESJQTYNUSDDN-UHFFFAOYSA-N
XLogP3.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine
CID 117417284
4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117367818
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one
CID 117388985
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-cyclohexylsulfanyl-1H-pyrazol-5-amine
CID 78969095
4-cyclohexylsulfanyl-3-fluoroaniline
CID 43303790
4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine
CID 117354767
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
CID 117401936
4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117448979
5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one
CID 117367394

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine (CID 117376095) is 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(SC2CC2)c(F)c1.
What is the InChIKey of 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is YUESJQTYNUSDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c13-10-5-7(9-6-15-16-12(9)14)1-4-11(10)17-8-2-3-8/h1,4-6,8H,2-3H2,(H3,14,15,16).
What are the key properties of 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine?
4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 249.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117376095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).