4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine

C6H11N3S — CID 117216560

IUPAC4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine
SMILESCCSCc1cn[nH]c1N
InChIInChI=1S/C6H11N3S/c1-2-10-4-5-3-8-9-6(5)7/h3H,2,4H2,1H3,(H3,7,8,9)
InChIKeyPHOKASGNWMZRFW-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.25
Rot. Bonds3

About 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine

4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine (PubChem CID 117216560) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine
PubChem CID117216560
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine
SMILESCCSCc1cn[nH]c1N
InChIInChI=1S/C6H11N3S/c1-2-10-4-5-3-8-9-6(5)7/h3H,2,4H2,1H3,(H3,7,8,9)
InChIKeyPHOKASGNWMZRFW-UHFFFAOYSA-N
XLogP1.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine (CID 117216560) is 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine is CCSCc1cn[nH]c1N.
What is the InChIKey of 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine?
The InChIKey is PHOKASGNWMZRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-2-10-4-5-3-8-9-6(5)7/h3H,2,4H2,1H3,(H3,7,8,9).
What are the key properties of 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine?
4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine has a molecular weight of 157.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117216560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).