N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine

C10H11N3S — CID 125449145

IUPACN-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine
SMILESCSc1ccc(Nc2cn[nH]c2)cc1
InChIInChI=1S/C10H11N3S/c1-14-10-4-2-8(3-5-10)13-9-6-11-12-7-9/h2-7,13H,1H3,(H,11,12)
InChIKeyAIOZOPBREIDGJH-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.88
Rot. Bonds3

About N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine

N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine (PubChem CID 125449145) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine
PubChem CID125449145
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC NameN-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine
SMILESCSc1ccc(Nc2cn[nH]c2)cc1
InChIInChI=1S/C10H11N3S/c1-14-10-4-2-8(3-5-10)13-9-6-11-12-7-9/h2-7,13H,1H3,(H,11,12)
InChIKeyAIOZOPBREIDGJH-UHFFFAOYSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine (CID 125449145) is N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine is CSc1ccc(Nc2cn[nH]c2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine?
The InChIKey is AIOZOPBREIDGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-14-10-4-2-8(3-5-10)13-9-6-11-12-7-9/h2-7,13H,1H3,(H,11,12).
What are the key properties of N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine?
N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine has a molecular weight of 205.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 125449145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).