3-methylsulfanyl-1-phenylpyrazol-4-amine

C10H11N3S — CID 57193043

IUPAC3-methylsulfanyl-1-phenylpyrazol-4-amine
SMILESCSc1nn(-c2ccccc2)cc1N
InChIInChI=1S/C10H11N3S/c1-14-10-9(11)7-13(12-10)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeyWVVFUIDOHDNMDK-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.18
Rot. Bonds2

About 3-methylsulfanyl-1-phenylpyrazol-4-amine

3-methylsulfanyl-1-phenylpyrazol-4-amine (PubChem CID 57193043) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-methylsulfanyl-1-phenylpyrazol-4-amine.

Molecular Properties

Compound Name3-methylsulfanyl-1-phenylpyrazol-4-amine
PubChem CID57193043
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-methylsulfanyl-1-phenylpyrazol-4-amine
SMILESCSc1nn(-c2ccccc2)cc1N
InChIInChI=1S/C10H11N3S/c1-14-10-9(11)7-13(12-10)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeyWVVFUIDOHDNMDK-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-phenylsulfanylpyrazol-4-amine
CID 54034551
3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide
CID 2822576
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine
CID 106758594
3-methylsulfanyl-4-methylsulfonyl-1-phenylpyrazol-5-amine
CID 134094762
N-(4-amino-1-phenylpyrazol-3-yl)formamide
CID 87950545
3-cyclopentyl-1-phenylpyrazol-4-amine
CID 83217224
4-methyl-5-methylsulfanyl-2-phenyltriazole
CID 12815844
3-(4-bromo-2-fluorophenyl)-1-phenylpyrazol-4-amine
CID 83216844
3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
CID 17433375
1-(3-fluorophenyl)-3-methylpyrazol-4-amine
CID 83222800

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-phenylpyrazol-4-amine?
The IUPAC name of 3-methylsulfanyl-1-phenylpyrazol-4-amine (CID 57193043) is 3-methylsulfanyl-1-phenylpyrazol-4-amine.
What is the SMILES notation for 3-methylsulfanyl-1-phenylpyrazol-4-amine?
The canonical SMILES for 3-methylsulfanyl-1-phenylpyrazol-4-amine is CSc1nn(-c2ccccc2)cc1N.
What is the InChIKey of 3-methylsulfanyl-1-phenylpyrazol-4-amine?
The InChIKey is WVVFUIDOHDNMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-14-10-9(11)7-13(12-10)8-5-3-2-4-6-8/h2-7H,11H2,1H3.
What are the key properties of 3-methylsulfanyl-1-phenylpyrazol-4-amine?
3-methylsulfanyl-1-phenylpyrazol-4-amine has a molecular weight of 205.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-phenylpyrazol-4-amine is sourced from PubChem (CID 57193043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).