1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine

C9H13N5S — CID 22062278

IUPAC1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine
SMILESCC(N)c1ccc(-n2ncc(N)c2N)s1
InChIInChI=1S/C9H13N5S/c1-5(10)7-2-3-8(15-7)14-9(12)6(11)4-13-14/h2-5H,10-12H2,1H3
InChIKeyWEOVUYOOIVBKPG-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.12
Rot. Bonds2

About 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine

1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine (PubChem CID 22062278) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine
PubChem CID22062278
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine
SMILESCC(N)c1ccc(-n2ncc(N)c2N)s1
InChIInChI=1S/C9H13N5S/c1-5(10)7-2-3-8(15-7)14-9(12)6(11)4-13-14/h2-5H,10-12H2,1H3
InChIKeyWEOVUYOOIVBKPG-UHFFFAOYSA-N
XLogP1.12
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine?
The IUPAC name of 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine (CID 22062278) is 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine is CC(N)c1ccc(-n2ncc(N)c2N)s1.
What is the InChIKey of 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine?
The InChIKey is WEOVUYOOIVBKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-5(10)7-2-3-8(15-7)14-9(12)6(11)4-13-14/h2-5H,10-12H2,1H3.
What are the key properties of 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine?
1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine has a molecular weight of 223.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-aminoethyl)thiophen-2-yl]pyrazole-4,5-diamine is sourced from PubChem (CID 22062278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).