N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine

C13H22ClN3 — CID 62565084

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine
SMILESCc1nn(CCNC2CCCCC2)c(C)c1Cl
InChIInChI=1S/C13H22ClN3/c1-10-13(14)11(2)17(16-10)9-8-15-12-6-4-3-5-7-12/h12,15H,3-9H2,1-2H3
InChIKeyPEPXXQRYBKNHFH-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine (PubChem CID 62565084) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine
PubChem CID62565084
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine
SMILESCc1nn(CCNC2CCCCC2)c(C)c1Cl
InChIInChI=1S/C13H22ClN3/c1-10-13(14)11(2)17(16-10)9-8-15-12-6-4-3-5-7-12/h12,15H,3-9H2,1-2H3
InChIKeyPEPXXQRYBKNHFH-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine (CID 62565084) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine is Cc1nn(CCNC2CCCCC2)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine?
The InChIKey is PEPXXQRYBKNHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-10-13(14)11(2)17(16-10)9-8-15-12-6-4-3-5-7-12/h12,15H,3-9H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine has a molecular weight of 255.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 62565084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).