1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile

C7H7N3 — CID 23135139

IUPAC1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile
SMILESN#Cc1n[nH]c2c1CCC2
InChIInChI=1S/C7H7N3/c8-4-7-5-2-1-3-6(5)9-10-7/h1-3H2,(H,9,10)
InChIKeyOEYYFSWAMQIPCS-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.77
Rot. Bonds

About 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile

1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile (PubChem CID 23135139) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile
PubChem CID23135139
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile
SMILESN#Cc1n[nH]c2c1CCC2
InChIInChI=1S/C7H7N3/c8-4-7-5-2-1-3-6(5)9-10-7/h1-3H2,(H,9,10)
InChIKeyOEYYFSWAMQIPCS-UHFFFAOYSA-N
XLogP0.77
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile?
The IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile (CID 23135139) is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile.
What is the SMILES notation for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile?
The canonical SMILES for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile is N#Cc1n[nH]c2c1CCC2.
What is the InChIKey of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile?
The InChIKey is OEYYFSWAMQIPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-4-7-5-2-1-3-6(5)9-10-7/h1-3H2,(H,9,10).
What are the key properties of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile?
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile has a molecular weight of 133.15 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile is sourced from PubChem (CID 23135139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).