1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

C14H16N6S — CID 126947839

IUPAC1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(c3nc(C4CCC4)ns3)C2)c1
InChIInChI=1S/C14H16N6S/c15-6-10-7-16-20(8-10)12-4-5-19(9-12)14-17-13(18-21-14)11-2-1-3-11/h7-8,11-12H,1-5,9H2
InChIKeyDAZQVAQZAQYDBX-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.33
Rot. Bonds3

About 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947839) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947839
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(c3nc(C4CCC4)ns3)C2)c1
InChIInChI=1S/C14H16N6S/c15-6-10-7-16-20(8-10)12-4-5-19(9-12)14-17-13(18-21-14)11-2-1-3-11/h7-8,11-12H,1-5,9H2
InChIKeyDAZQVAQZAQYDBX-UHFFFAOYSA-N
XLogP2.33
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947843
2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126947868
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947717
1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947693
1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947753
1-(thian-4-yl)pyrazole-4-carbonitrile
CID 84733123
1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947907
1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948008
1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile
CID 105491775
1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947830

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947839) is 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CCN(c3nc(C4CCC4)ns3)C2)c1.
What is the InChIKey of 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is DAZQVAQZAQYDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c15-6-10-7-16-20(8-10)12-4-5-19(9-12)14-17-13(18-21-14)11-2-1-3-11/h7-8,11-12H,1-5,9H2.
What are the key properties of 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).