N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine

C13H22ClN3 — CID 113352478

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCc1nn(C)c(Cl)c1CNC1CCCC1(C)C
InChIInChI=1S/C13H22ClN3/c1-9-10(12(14)17(4)16-9)8-15-11-6-5-7-13(11,2)3/h11,15H,5-8H2,1-4H3
InChIKeyWSNGXUCDXOKFAE-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.05
Rot. Bonds3

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 113352478) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID113352478
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCc1nn(C)c(Cl)c1CNC1CCCC1(C)C
InChIInChI=1S/C13H22ClN3/c1-9-10(12(14)17(4)16-9)8-15-11-6-5-7-13(11,2)3/h11,15H,5-8H2,1-4H3
InChIKeyWSNGXUCDXOKFAE-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79862022
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861760
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine
CID 115616397
2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696257
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 79861537
2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79862119
2,2-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 79831902
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
3-chloro-2-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79831452
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
CID 115656604
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 113352478) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine is Cc1nn(C)c(Cl)c1CNC1CCCC1(C)C.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is WSNGXUCDXOKFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-9-10(12(14)17(4)16-9)8-15-11-6-5-7-13(11,2)3/h11,15H,5-8H2,1-4H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 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]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 113352478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).