2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane

C11H17ClN4 — CID 172514454

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCc1nn(C)c(Cl)c1CN1CC2(CNC2)C1
InChIInChI=1S/C11H17ClN4/c1-8-9(10(12)15(2)14-8)3-16-6-11(7-16)4-13-5-11/h13H,3-7H2,1-2H3
InChIKeyDIQRLWQZQVBRDZ-UHFFFAOYSA-N
MW240.74 g/mol
LogP0.79
Rot. Bonds2

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 172514454) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID172514454
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCc1nn(C)c(Cl)c1CN1CC2(CNC2)C1
InChIInChI=1S/C11H17ClN4/c1-8-9(10(12)15(2)14-8)3-16-6-11(7-16)4-13-5-11/h13H,3-7H2,1-2H3
InChIKeyDIQRLWQZQVBRDZ-UHFFFAOYSA-N
XLogP0.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 172514454) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is Cc1nn(C)c(Cl)c1CN1CC2(CNC2)C1.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is DIQRLWQZQVBRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-8-9(10(12)15(2)14-8)3-16-6-11(7-16)4-13-5-11/h13H,3-7H2,1-2H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 240.74 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 172514454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).