1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine

C10H14N4S — CID 22062230

IUPAC1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine
SMILESCC(C)c1csc(-n2ncc(N)c2N)c1
InChIInChI=1S/C10H14N4S/c1-6(2)7-3-9(15-5-7)14-10(12)8(11)4-13-14/h3-6H,11-12H2,1-2H3
InChIKeyMNZGQSRBOOWWNB-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.22
Rot. Bonds2

About 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine

1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine (PubChem CID 22062230) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine
PubChem CID22062230
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine
SMILESCC(C)c1csc(-n2ncc(N)c2N)c1
InChIInChI=1S/C10H14N4S/c1-6(2)7-3-9(15-5-7)14-10(12)8(11)4-13-14/h3-6H,11-12H2,1-2H3
InChIKeyMNZGQSRBOOWWNB-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine (CID 22062230) is 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine is CC(C)c1csc(-n2ncc(N)c2N)c1.
What is the InChIKey of 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine?
The InChIKey is MNZGQSRBOOWWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-6(2)7-3-9(15-5-7)14-10(12)8(11)4-13-14/h3-6H,11-12H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine?
1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine has a molecular weight of 222.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylthiophen-2-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 22062230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).