5-cyclopropyl-1H-pyrazole-3-carbonitrile

C7H7N3 — CID 39235045

IUPAC5-cyclopropyl-1H-pyrazole-3-carbonitrile
SMILESN#Cc1cc(C2CC2)[nH]n1
InChIInChI=1S/C7H7N3/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2H2,(H,9,10)
InChIKeySWNIJVVPGNFUDE-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.16
Rot. Bonds1

About 5-cyclopropyl-1H-pyrazole-3-carbonitrile

5-cyclopropyl-1H-pyrazole-3-carbonitrile (PubChem CID 39235045) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-cyclopropyl-1H-pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-1H-pyrazole-3-carbonitrile
PubChem CID39235045
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name5-cyclopropyl-1H-pyrazole-3-carbonitrile
SMILESN#Cc1cc(C2CC2)[nH]n1
InChIInChI=1S/C7H7N3/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2H2,(H,9,10)
InChIKeySWNIJVVPGNFUDE-UHFFFAOYSA-N
XLogP1.16
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1H-pyrazole-3-carbonitrile?
The IUPAC name of 5-cyclopropyl-1H-pyrazole-3-carbonitrile (CID 39235045) is 5-cyclopropyl-1H-pyrazole-3-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-1H-pyrazole-3-carbonitrile?
The canonical SMILES for 5-cyclopropyl-1H-pyrazole-3-carbonitrile is N#Cc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-1H-pyrazole-3-carbonitrile?
The InChIKey is SWNIJVVPGNFUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2H2,(H,9,10).
What are the key properties of 5-cyclopropyl-1H-pyrazole-3-carbonitrile?
5-cyclopropyl-1H-pyrazole-3-carbonitrile has a molecular weight of 133.15 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-pyrazole-3-carbonitrile is sourced from PubChem (CID 39235045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).