3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine

C9H10N4S — CID 2826016

IUPAC3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine
SMILESCSc1n[nH]c(N)c1-c1ccccn1
InChIInChI=1S/C9H10N4S/c1-14-9-7(8(10)12-13-9)6-4-2-3-5-11-6/h2-5H,1H3,(H3,10,12,13)
InChIKeyQWOOPSGRIRRXJQ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.78
Rot. Bonds2

About 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine

3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine (PubChem CID 2826016) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine
PubChem CID2826016
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine
SMILESCSc1n[nH]c(N)c1-c1ccccn1
InChIInChI=1S/C9H10N4S/c1-14-9-7(8(10)12-13-9)6-4-2-3-5-11-6/h2-5H,1H3,(H3,10,12,13)
InChIKeyQWOOPSGRIRRXJQ-UHFFFAOYSA-N
XLogP1.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine?
The IUPAC name of 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine (CID 2826016) is 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine.
What is the SMILES notation for 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine?
The canonical SMILES for 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine is CSc1n[nH]c(N)c1-c1ccccn1.
What is the InChIKey of 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine?
The InChIKey is QWOOPSGRIRRXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-14-9-7(8(10)12-13-9)6-4-2-3-5-11-6/h2-5H,1H3,(H3,10,12,13).
What are the key properties of 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine?
3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine has a molecular weight of 206.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-amine is sourced from PubChem (CID 2826016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).