1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine

C10H14N4S — CID 69351033

IUPAC1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine
SMILESCC(C)n1nc(-c2cccs2)c(N)c1N
InChIInChI=1S/C10H14N4S/c1-6(2)14-10(12)8(11)9(13-14)7-4-3-5-15-7/h3-6H,11-12H2,1-2H3
InChIKeyOEFROMXSIFXHLB-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.36
Rot. Bonds2

About 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine

1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine (PubChem CID 69351033) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine
PubChem CID69351033
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine
SMILESCC(C)n1nc(-c2cccs2)c(N)c1N
InChIInChI=1S/C10H14N4S/c1-6(2)14-10(12)8(11)9(13-14)7-4-3-5-15-7/h3-6H,11-12H2,1-2H3
InChIKeyOEFROMXSIFXHLB-UHFFFAOYSA-N
XLogP2.36
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine (CID 69351033) is 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine is CC(C)n1nc(-c2cccs2)c(N)c1N.
What is the InChIKey of 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine?
The InChIKey is OEFROMXSIFXHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-6(2)14-10(12)8(11)9(13-14)7-4-3-5-15-7/h3-6H,11-12H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine?
1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine has a molecular weight of 222.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-thiophen-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 69351033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).