5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole

C12H19N3 — CID 95841083

IUPAC5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole
SMILESc1cc(C2CN(C3CCCCC3)C2)[nH]n1
InChIInChI=1S/C12H19N3/c1-2-4-11(5-3-1)15-8-10(9-15)12-6-7-13-14-12/h6-7,10-11H,1-5,8-9H2,(H,13,14)
InChIKeyBDVUDRSFAWRZJO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.14
Rot. Bonds2

About 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole

5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole (PubChem CID 95841083) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole
PubChem CID95841083
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole
SMILESc1cc(C2CN(C3CCCCC3)C2)[nH]n1
InChIInChI=1S/C12H19N3/c1-2-4-11(5-3-1)15-8-10(9-15)12-6-7-13-14-12/h6-7,10-11H,1-5,8-9H2,(H,13,14)
InChIKeyBDVUDRSFAWRZJO-UHFFFAOYSA-N
XLogP2.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole?
The IUPAC name of 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole (CID 95841083) is 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole?
The canonical SMILES for 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole is c1cc(C2CN(C3CCCCC3)C2)[nH]n1.
What is the InChIKey of 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole?
The InChIKey is BDVUDRSFAWRZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-4-11(5-3-1)15-8-10(9-15)12-6-7-13-14-12/h6-7,10-11H,1-5,8-9H2,(H,13,14).
What are the key properties of 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole?
5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole has a molecular weight of 205.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylazetidin-3-yl)-1H-pyrazole is sourced from PubChem (CID 95841083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).