5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine

C12H22N4S — CID 66018191

IUPAC5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)C2CCSC2)c1N
InChIInChI=1S/C12H22N4S/c1-8(2)11-10(13)12(16(4)14-11)15(3)9-5-6-17-7-9/h8-9H,5-7,13H2,1-4H3
InChIKeyKAMZFQYEHKLYHM-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.07
Rot. Bonds3

About 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine

5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine (PubChem CID 66018191) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine
PubChem CID66018191
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)C2CCSC2)c1N
InChIInChI=1S/C12H22N4S/c1-8(2)11-10(13)12(16(4)14-11)15(3)9-5-6-17-7-9/h8-9H,5-7,13H2,1-4H3
InChIKeyKAMZFQYEHKLYHM-UHFFFAOYSA-N
XLogP2.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine (CID 66018191) is 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine is CC(C)c1nn(C)c(N(C)C2CCSC2)c1N.
What is the InChIKey of 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine?
The InChIKey is KAMZFQYEHKLYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-8(2)11-10(13)12(16(4)14-11)15(3)9-5-6-17-7-9/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine?
5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 66018191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).