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

C12H19ClFN3 — CID 112562505

IUPAC4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine
SMILESCc1nn(C)c(CC2(F)CCC(N)CC2)c1Cl
InChIInChI=1S/C12H19ClFN3/c1-8-11(13)10(17(2)16-8)7-12(14)5-3-9(15)4-6-12/h9H,3-7,15H2,1-2H3
InChIKeyGYONXCBZHBDBLJ-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.53
Rot. Bonds2

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

4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine (PubChem CID 112562505) has the molecular formula C12H19ClFN3 and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine
PubChem CID112562505
Molecular FormulaC12H19ClFN3
Molecular Weight259.76 g/mol
Exact Mass259.13
IUPAC Name4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine
SMILESCc1nn(C)c(CC2(F)CCC(N)CC2)c1Cl
InChIInChI=1S/C12H19ClFN3/c1-8-11(13)10(17(2)16-8)7-12(14)5-3-9(15)4-6-12/h9H,3-7,15H2,1-2H3
InChIKeyGYONXCBZHBDBLJ-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 116538698
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
CID 66025319
5-[[1-(bromomethyl)cyclobutyl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66049102
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081887
4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66033786
4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112562313
N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026465
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429583
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81013682
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane
CID 79118582
5-[[3-(bromomethyl)oxolan-3-yl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66042437
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603689

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine (CID 112562505) is 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine is Cc1nn(C)c(CC2(F)CCC(N)CC2)c1Cl.
What is the InChIKey of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine?
The InChIKey is GYONXCBZHBDBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClFN3/c1-8-11(13)10(17(2)16-8)7-12(14)5-3-9(15)4-6-12/h9H,3-7,15H2,1-2H3.
What are the key properties of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine?
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine has a molecular weight of 259.76 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 112562505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).