N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine

C14H24ClN3 — CID 51889601

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1c(C)nn(C)c1Cl)C1CCCCC1
InChIInChI=1S/C14H24ClN3/c1-4-18(12-8-6-5-7-9-12)10-13-11(2)16-17(3)14(13)15/h12H,4-10H2,1-3H3
InChIKeyJJOUBDZJAXSOIE-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.54
Rot. Bonds4

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine (PubChem CID 51889601) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine
PubChem CID51889601
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1c(C)nn(C)c1Cl)C1CCCCC1
InChIInChI=1S/C14H24ClN3/c1-4-18(12-8-6-5-7-9-12)10-13-11(2)16-17(3)14(13)15/h12H,4-10H2,1-3H3
InChIKeyJJOUBDZJAXSOIE-UHFFFAOYSA-N
XLogP3.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine (CID 51889601) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine is CCN(Cc1c(C)nn(C)c1Cl)C1CCCCC1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine?
The InChIKey is JJOUBDZJAXSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-4-18(12-8-6-5-7-9-12)10-13-11(2)16-17(3)14(13)15/h12H,4-10H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine has a molecular weight of 269.82 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethylcyclohexanamine is sourced from PubChem (CID 51889601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).