4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol

C10H11N3OS — CID 83872099

IUPAC4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol
SMILESCSc1cc(N)nn1-c1ccc(O)cc1
InChIInChI=1S/C10H11N3OS/c1-15-10-6-9(11)12-13(10)7-2-4-8(14)5-3-7/h2-6,14H,1H3,(H2,11,12)
InChIKeyOOTXRVGQIBWBNG-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.88
Rot. Bonds2

About 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol

4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol (PubChem CID 83872099) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol
PubChem CID83872099
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol
SMILESCSc1cc(N)nn1-c1ccc(O)cc1
InChIInChI=1S/C10H11N3OS/c1-15-10-6-9(11)12-13(10)7-2-4-8(14)5-3-7/h2-6,14H,1H3,(H2,11,12)
InChIKeyOOTXRVGQIBWBNG-UHFFFAOYSA-N
XLogP1.88
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine
CID 83872098
4-(5-amino-3-methylpyrazol-1-yl)phenol
CID 21432541
4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
CID 115022979
5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine
CID 83864590
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821
2-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
CID 15578956
1-(4-aminophenyl)-3-methylindazol-6-ol
CID 136917981
4-(3-amino-5-methylpyrazol-1-yl)benzonitrile
CID 46705137
5-(2-aminoethyl)-1-(4-chlorophenyl)pyrazol-3-amine
CID 83868883
3-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 83864095
4-(5-amino-4-chloropyrazol-1-yl)phenol
CID 112711594
5-N,5-N-dimethyl-1-phenylpyrazole-3,5-diamine
CID 83864489

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol?
The IUPAC name of 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol (CID 83872099) is 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol.
What is the SMILES notation for 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol?
The canonical SMILES for 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol is CSc1cc(N)nn1-c1ccc(O)cc1.
What is the InChIKey of 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol?
The InChIKey is OOTXRVGQIBWBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-15-10-6-9(11)12-13(10)7-2-4-8(14)5-3-7/h2-6,14H,1H3,(H2,11,12).
What are the key properties of 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol?
4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol has a molecular weight of 221.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-methylsulfanylpyrazol-1-yl)phenol is sourced from PubChem (CID 83872099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).