1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine

C14H25ClN4 — CID 115304990

IUPAC1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCCc1nn(C)c(CN2CCC(C)(NC)CC2)c1Cl
InChIInChI=1S/C14H25ClN4/c1-5-11-13(15)12(18(4)17-11)10-19-8-6-14(2,16-3)7-9-19/h16H,5-10H2,1-4H3
InChIKeyUDUJVMBNAZBSOC-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.21
Rot. Bonds4

About 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115304990) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115304990
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC Name1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCCc1nn(C)c(CN2CCC(C)(NC)CC2)c1Cl
InChIInChI=1S/C14H25ClN4/c1-5-11-13(15)12(18(4)17-11)10-19-8-6-14(2,16-3)7-9-19/h16H,5-10H2,1-4H3
InChIKeyUDUJVMBNAZBSOC-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine (CID 115304990) is 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine is CCc1nn(C)c(CN2CCC(C)(NC)CC2)c1Cl.
What is the InChIKey of 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is UDUJVMBNAZBSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-5-11-13(15)12(18(4)17-11)10-19-8-6-14(2,16-3)7-9-19/h16H,5-10H2,1-4H3.
What are the key properties of 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 284.83 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).