1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile

C12H15N3S — CID 105493457

IUPAC1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
SMILESN#Cc1nn(C2CCCCC2)c2c1CSC2
InChIInChI=1S/C12H15N3S/c13-6-11-10-7-16-8-12(10)15(14-11)9-4-2-1-3-5-9/h9H,1-5,7-8H2
InChIKeyAGMHMNGNZNCERO-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.01
Rot. Bonds1

About 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile

1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile (PubChem CID 105493457) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
PubChem CID105493457
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
SMILESN#Cc1nn(C2CCCCC2)c2c1CSC2
InChIInChI=1S/C12H15N3S/c13-6-11-10-7-16-8-12(10)15(14-11)9-4-2-1-3-5-9/h9H,1-5,7-8H2
InChIKeyAGMHMNGNZNCERO-UHFFFAOYSA-N
XLogP3.01
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
CID 105487277
1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
CID 105499028
1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
CID 105499027
1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
CID 105499492
2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105489761
1-cycloheptylimidazole-4,5-dicarbonitrile
CID 112595680
1-cycloheptyl-1,2,4-triazole-3-carbonitrile
CID 82924529
2-cyclopentyl-3,5-dioxo-4-propyl-1,2,4-triazine-6-carbonitrile
CID 46881995
1-cyclohexyl-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
CID 105460780
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
CID 105457821
2-cyclopentylpyrazole-3-carbonitrile
CID 105431659
2-cyclobutyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105443534

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile?
The IUPAC name of 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile (CID 105493457) is 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile?
The canonical SMILES for 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile is N#Cc1nn(C2CCCCC2)c2c1CSC2.
What is the InChIKey of 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile?
The InChIKey is AGMHMNGNZNCERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-6-11-10-7-16-8-12(10)15(14-11)9-4-2-1-3-5-9/h9H,1-5,7-8H2.
What are the key properties of 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile?
1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile has a molecular weight of 233.34 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile is sourced from PubChem (CID 105493457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).