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

C8H11N5S — CID 22062263

IUPAC1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine
SMILESNCc1ccc(-n2ncc(N)c2N)s1
InChIInChI=1S/C8H11N5S/c9-3-5-1-2-7(14-5)13-8(11)6(10)4-12-13/h1-2,4H,3,9-11H2
InChIKeyZCJHUVBRDHBERI-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.56
Rot. Bonds2

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

1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine (PubChem CID 22062263) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine
PubChem CID22062263
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine
SMILESNCc1ccc(-n2ncc(N)c2N)s1
InChIInChI=1S/C8H11N5S/c9-3-5-1-2-7(14-5)13-8(11)6(10)4-12-13/h1-2,4H,3,9-11H2
InChIKeyZCJHUVBRDHBERI-UHFFFAOYSA-N
XLogP0.56
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine?
The IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine (CID 22062263) is 1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine is NCc1ccc(-n2ncc(N)c2N)s1.
What is the InChIKey of 1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine?
The InChIKey is ZCJHUVBRDHBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c9-3-5-1-2-7(14-5)13-8(11)6(10)4-12-13/h1-2,4H,3,9-11H2.
What are the key properties of 1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine?
1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine has a molecular weight of 209.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)thiophen-2-yl]pyrazole-4,5-diamine is sourced from PubChem (CID 22062263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).