3-cyclohexylsulfanyl-1-methylpyrazol-4-amine

C10H17N3S — CID 103079571

IUPAC3-cyclohexylsulfanyl-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(SC2CCCCC2)n1
InChIInChI=1S/C10H17N3S/c1-13-7-9(11)10(12-13)14-8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3
InChIKeyNFAQTVPZCLCIIR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.43
Rot. Bonds2

About 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine

3-cyclohexylsulfanyl-1-methylpyrazol-4-amine (PubChem CID 103079571) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-1-methylpyrazol-4-amine
PubChem CID103079571
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-cyclohexylsulfanyl-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(SC2CCCCC2)n1
InChIInChI=1S/C10H17N3S/c1-13-7-9(11)10(12-13)14-8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3
InChIKeyNFAQTVPZCLCIIR-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine?
The IUPAC name of 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine (CID 103079571) is 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine?
The canonical SMILES for 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine is Cn1cc(N)c(SC2CCCCC2)n1.
What is the InChIKey of 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine?
The InChIKey is NFAQTVPZCLCIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13-7-9(11)10(12-13)14-8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3.
What are the key properties of 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine?
3-cyclohexylsulfanyl-1-methylpyrazol-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).