5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol

C13H24ClN3O — CID 114147580

IUPAC5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol
SMILESCCc1nn(CC)c(CNCCCC(C)O)c1Cl
InChIInChI=1S/C13H24ClN3O/c1-4-11-13(14)12(17(5-2)16-11)9-15-8-6-7-10(3)18/h10,15,18H,4-9H2,1-3H3
InChIKeyVPHTWRYAPRDWIN-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.37
Rot. Bonds8

About 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol

5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol (PubChem CID 114147580) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol
PubChem CID114147580
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol
SMILESCCc1nn(CC)c(CNCCCC(C)O)c1Cl
InChIInChI=1S/C13H24ClN3O/c1-4-11-13(14)12(17(5-2)16-11)9-15-8-6-7-10(3)18/h10,15,18H,4-9H2,1-3H3
InChIKeyVPHTWRYAPRDWIN-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-7-methyloctan-1-amine
CID 107815099
4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide
CID 79377561
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(2-chloroethyl)pentan-1-amine
CID 106117116
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293882
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186716
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104808
methyl 2-bromo-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]propanoate
CID 103492239
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046742
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455672
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106417289
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide
CID 106344866
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 113494675

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol (CID 114147580) is 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol is CCc1nn(CC)c(CNCCCC(C)O)c1Cl.
What is the InChIKey of 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol?
The InChIKey is VPHTWRYAPRDWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-4-11-13(14)12(17(5-2)16-11)9-15-8-6-7-10(3)18/h10,15,18H,4-9H2,1-3H3.
What are the key properties of 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol?
5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol has a molecular weight of 273.81 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 114147580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).