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

C14H24ClN3 — CID 113470743

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
SMILESCc1nn(C)c(Cl)c1CC1(N)CCCCCCC1
InChIInChI=1S/C14H24ClN3/c1-11-12(13(15)18(2)17-11)10-14(16)8-6-4-3-5-7-9-14/h3-10,16H2,1-2H3
InChIKeyQEVCMNLXGCEIPJ-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.37
Rot. Bonds2

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

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine (PubChem CID 113470743) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
PubChem CID113470743
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
SMILESCc1nn(C)c(Cl)c1CC1(N)CCCCCCC1
InChIInChI=1S/C14H24ClN3/c1-11-12(13(15)18(2)17-11)10-14(16)8-6-4-3-5-7-9-14/h3-10,16H2,1-2H3
InChIKeyQEVCMNLXGCEIPJ-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467286
1-(1-aminocyclopentyl)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)propan-2-one
CID 116578705
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 113470102
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320
1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243365
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830549
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 113470727
5-chloro-1,3-dimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole
CID 113470300
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxycyclohexyl)ethanone
CID 116748161
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 113470131
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539264
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
CID 66025319

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine (CID 113470743) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine is Cc1nn(C)c(Cl)c1CC1(N)CCCCCCC1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine?
The InChIKey is QEVCMNLXGCEIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-11-12(13(15)18(2)17-11)10-14(16)8-6-4-3-5-7-9-14/h3-10,16H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine is sourced from PubChem (CID 113470743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).