[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol

C13H22ClN3O — CID 106360894

IUPAC[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol
SMILESCCn1nc(C)c(Cl)c1CNC1CCCC1CO
InChIInChI=1S/C13H22ClN3O/c1-3-17-12(13(14)9(2)16-17)7-15-11-6-4-5-10(11)8-18/h10-11,15,18H,3-8H2,1-2H3
InChIKeyLXIYQZAVXDSOIM-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.12
Rot. Bonds5

About [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol

[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol (PubChem CID 106360894) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol
PubChem CID106360894
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol
SMILESCCn1nc(C)c(Cl)c1CNC1CCCC1CO
InChIInChI=1S/C13H22ClN3O/c1-3-17-12(13(14)9(2)16-17)7-15-11-6-4-5-10(11)8-18/h10-11,15,18H,3-8H2,1-2H3
InChIKeyLXIYQZAVXDSOIM-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol with MolForge

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Related Compounds

[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469312
N-[[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026860
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one
CID 106189404
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150607
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186709
[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol
CID 114178487
[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol
CID 104934477
[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
CID 113442476
[2-(2-ethylsulfanylethylamino)cyclopentyl]methanol
CID 104668665

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol (CID 106360894) is [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol is CCn1nc(C)c(Cl)c1CNC1CCCC1CO.
What is the InChIKey of [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol?
The InChIKey is LXIYQZAVXDSOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-17-12(13(14)9(2)16-17)7-15-11-6-4-5-10(11)8-18/h10-11,15,18H,3-8H2,1-2H3.
What are the key properties of [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol?
[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol has a molecular weight of 271.79 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 106360894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).