5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile

C9H8N4S — CID 71259791

IUPAC5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(Cn2cc(N)cn2)s1
InChIInChI=1S/C9H8N4S/c10-3-8-1-2-9(14-8)6-13-5-7(11)4-12-13/h1-2,4-5H,6,11H2
InChIKeyWDPUNSIKLJOLJE-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.45
Rot. Bonds2

About 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile

5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile (PubChem CID 71259791) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile
PubChem CID71259791
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(Cn2cc(N)cn2)s1
InChIInChI=1S/C9H8N4S/c10-3-8-1-2-9(14-8)6-13-5-7(11)4-12-13/h1-2,4-5H,6,11H2
InChIKeyWDPUNSIKLJOLJE-UHFFFAOYSA-N
XLogP1.45
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile (CID 71259791) is 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile is N#Cc1ccc(Cn2cc(N)cn2)s1.
What is the InChIKey of 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile?
The InChIKey is WDPUNSIKLJOLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c10-3-8-1-2-9(14-8)6-13-5-7(11)4-12-13/h1-2,4-5H,6,11H2.
What are the key properties of 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile?
5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile has a molecular weight of 204.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 71259791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).