5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine

C12H22N4S — CID 66027232

IUPAC5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)C1CCSC1
InChIInChI=1S/C12H22N4S/c1-4-6-16-12(11(13)9(2)14-16)15(3)10-5-7-17-8-10/h10H,4-8,13H2,1-3H3
InChIKeyGSHXAWHBRZLQLX-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.13
Rot. Bonds4

About 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine

5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine (PubChem CID 66027232) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine
PubChem CID66027232
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)C1CCSC1
InChIInChI=1S/C12H22N4S/c1-4-6-16-12(11(13)9(2)14-16)15(3)10-5-7-17-8-10/h10H,4-8,13H2,1-3H3
InChIKeyGSHXAWHBRZLQLX-UHFFFAOYSA-N
XLogP2.13
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine (CID 66027232) is 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(C)C1CCSC1.
What is the InChIKey of 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine?
The InChIKey is GSHXAWHBRZLQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-6-16-12(11(13)9(2)14-16)15(3)10-5-7-17-8-10/h10H,4-8,13H2,1-3H3.
What are the key properties of 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine?
5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 66027232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).