1-cyclobutylpyrazole-4-carbonitrile

C8H9N3 — CID 105429045

IUPAC1-cyclobutylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCC2)c1
InChIInChI=1S/C8H9N3/c9-4-7-5-10-11(6-7)8-2-1-3-8/h5-6,8H,1-3H2
InChIKeyTYTOKXKIZGZBPH-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.48
Rot. Bonds1

About 1-cyclobutylpyrazole-4-carbonitrile

1-cyclobutylpyrazole-4-carbonitrile (PubChem CID 105429045) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-cyclobutylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-cyclobutylpyrazole-4-carbonitrile
PubChem CID105429045
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1-cyclobutylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCC2)c1
InChIInChI=1S/C8H9N3/c9-4-7-5-10-11(6-7)8-2-1-3-8/h5-6,8H,1-3H2
InChIKeyTYTOKXKIZGZBPH-UHFFFAOYSA-N
XLogP1.48
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thian-4-yl)pyrazole-4-carbonitrile
CID 84733123
1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile
CID 105491775
3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990840
3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990846
3-(1-cyclopentylpyrazol-4-yl)-5-methylbenzonitrile
CID 172989940
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900794
1-cyclobutyl-4-methylpyrazole
CID 59225391
1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947839
1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900704
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947667
3-chloro-5-(1-cyclopropylpyrazol-4-yl)benzonitrile
CID 172990998

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpyrazole-4-carbonitrile?
The IUPAC name of 1-cyclobutylpyrazole-4-carbonitrile (CID 105429045) is 1-cyclobutylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-cyclobutylpyrazole-4-carbonitrile?
The canonical SMILES for 1-cyclobutylpyrazole-4-carbonitrile is N#Cc1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutylpyrazole-4-carbonitrile?
The InChIKey is TYTOKXKIZGZBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-4-7-5-10-11(6-7)8-2-1-3-8/h5-6,8H,1-3H2.
What are the key properties of 1-cyclobutylpyrazole-4-carbonitrile?
1-cyclobutylpyrazole-4-carbonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpyrazole-4-carbonitrile is sourced from PubChem (CID 105429045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).