3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

C9H8N4S — CID 21052286

IUPAC3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESCc1nn(-c2nccs2)c(C)c1C#N
InChIInChI=1S/C9H8N4S/c1-6-8(5-10)7(2)13(12-6)9-11-3-4-14-9/h3-4H,1-2H3
InChIKeyHYLGODNZNZMIRS-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.82
Rot. Bonds1

About 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (PubChem CID 21052286) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
PubChem CID21052286
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESCc1nn(-c2nccs2)c(C)c1C#N
InChIInChI=1S/C9H8N4S/c1-6-8(5-10)7(2)13(12-6)9-11-3-4-14-9/h3-4H,1-2H3
InChIKeyHYLGODNZNZMIRS-UHFFFAOYSA-N
XLogP1.82
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (CID 21052286) is 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is Cc1nn(-c2nccs2)c(C)c1C#N.
What is the InChIKey of 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The InChIKey is HYLGODNZNZMIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c1-6-8(5-10)7(2)13(12-6)9-11-3-4-14-9/h3-4H,1-2H3.
What are the key properties of 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile has a molecular weight of 204.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 21052286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).