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

C13H22ClN3 — CID 116539264

IUPAC3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2c(C)nn(C)c2Cl)C1
InChIInChI=1S/C13H22ClN3/c1-9-11(12(14)17(4)16-9)8-13(2)6-5-10(7-13)15-3/h10,15H,5-8H2,1-4H3
InChIKeyWBTPRDWSHQHISV-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.70
Rot. Bonds3

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

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine (PubChem CID 116539264) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine
PubChem CID116539264
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2c(C)nn(C)c2Cl)C1
InChIInChI=1S/C13H22ClN3/c1-9-11(12(14)17(4)16-9)8-13(2)6-5-10(7-13)15-3/h10,15H,5-8H2,1-4H3
InChIKeyWBTPRDWSHQHISV-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539047
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
CID 113470743
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449671
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 113352478
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 113470102
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 116538698
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
CID 115656604
3-benzyl-N,3-dimethylcyclopentan-1-amine
CID 116538980
5-chloro-1,3-dimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole
CID 113470300
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 113470727
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830549

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine (CID 116539264) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(Cc2c(C)nn(C)c2Cl)C1.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
The InChIKey is WBTPRDWSHQHISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-9-11(12(14)17(4)16-9)8-13(2)6-5-10(7-13)15-3/h10,15H,5-8H2,1-4H3.
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116539264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).