5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile

C9H8N4S — CID 57438673

IUPAC5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile
SMILESCc1cscc1-n1ncc(C#N)c1N
InChIInChI=1S/C9H8N4S/c1-6-4-14-5-8(6)13-9(11)7(2-10)3-12-13/h3-5H,11H2,1H3
InChIKeyFPFQAMJRDNFINH-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.70
Rot. Bonds1

About 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile

5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile (PubChem CID 57438673) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile
PubChem CID57438673
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile
SMILESCc1cscc1-n1ncc(C#N)c1N
InChIInChI=1S/C9H8N4S/c1-6-4-14-5-8(6)13-9(11)7(2-10)3-12-13/h3-5H,11H2,1H3
InChIKeyFPFQAMJRDNFINH-UHFFFAOYSA-N
XLogP1.70
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile (CID 57438673) is 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile is Cc1cscc1-n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile?
The InChIKey is FPFQAMJRDNFINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c1-6-4-14-5-8(6)13-9(11)7(2-10)3-12-13/h3-5H,11H2,1H3.
What are the key properties of 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile?
5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile has a molecular weight of 204.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methylthiophen-3-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 57438673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).