3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol

C13H24ClN3O — CID 111469232

IUPAC3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
SMILESCCc1nn(C)c(Cl)c1CNC(CCO)C(C)C
InChIInChI=1S/C13H24ClN3O/c1-5-11-10(13(14)17(4)16-11)8-15-12(6-7-18)9(2)3/h9,12,15,18H,5-8H2,1-4H3
InChIKeyGDRGDIDYKAZQCT-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.13
Rot. Bonds7

About 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol

3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol (PubChem CID 111469232) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
PubChem CID111469232
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
SMILESCCc1nn(C)c(Cl)c1CNC(CCO)C(C)C
InChIInChI=1S/C13H24ClN3O/c1-5-11-10(13(14)17(4)16-11)8-15-12(6-7-18)9(2)3/h9,12,15,18H,5-8H2,1-4H3
InChIKeyGDRGDIDYKAZQCT-UHFFFAOYSA-N
XLogP2.13
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655448
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
CID 83880828
[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579370
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924571
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115732900
3-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-1-methylpyrazole-4-carboxamide
CID 103894208
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 115630423
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 111421648
3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469187

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol (CID 111469232) is 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol is CCc1nn(C)c(Cl)c1CNC(CCO)C(C)C.
What is the InChIKey of 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
The InChIKey is GDRGDIDYKAZQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-5-11-10(13(14)17(4)16-11)8-15-12(6-7-18)9(2)3/h9,12,15,18H,5-8H2,1-4H3.
What are the key properties of 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol has a molecular weight of 273.81 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 111469232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).