1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine

C11H19ClN4 — CID 43556694

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)c(Cl)c1CN1CCC(N)CC1
InChIInChI=1S/C11H19ClN4/c1-8-10(11(12)15(2)14-8)7-16-5-3-9(13)4-6-16/h9H,3-7,13H2,1-2H3
InChIKeyCJMPJFRHUYVINY-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.31
Rot. Bonds2

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 43556694) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID43556694
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)c(Cl)c1CN1CCC(N)CC1
InChIInChI=1S/C11H19ClN4/c1-8-10(11(12)15(2)14-8)7-16-5-3-9(13)4-6-16/h9H,3-7,13H2,1-2H3
InChIKeyCJMPJFRHUYVINY-UHFFFAOYSA-N
XLogP1.31
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine (CID 43556694) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine is Cc1nn(C)c(Cl)c1CN1CCC(N)CC1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is CJMPJFRHUYVINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-8-10(11(12)15(2)14-8)7-16-5-3-9(13)4-6-16/h9H,3-7,13H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 242.75 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 43556694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).