5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine

C16H15N3S — CID 19934711

IUPAC5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H15N3S/c1-11-15(16(17)19-18-11)12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-10H,1H3,(H3,17,18,19)
InChIKeyKRLILALTNLKKQF-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.12
Rot. Bonds3

About 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine

5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine (PubChem CID 19934711) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine
PubChem CID19934711
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H15N3S/c1-11-15(16(17)19-18-11)12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-10H,1H3,(H3,17,18,19)
InChIKeyKRLILALTNLKKQF-UHFFFAOYSA-N
XLogP4.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine (CID 19934711) is 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1-c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine?
The InChIKey is KRLILALTNLKKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-15(16(17)19-18-11)12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-10H,1H3,(H3,17,18,19).
What are the key properties of 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine?
5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine has a molecular weight of 281.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 19934711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).