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

C13H24ClN3O2 — CID 106159888

IUPAC3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol
SMILESCCc1nn(CC)c(CNC(CCO)COC)c1Cl
InChIInChI=1S/C13H24ClN3O2/c1-4-11-13(14)12(17(5-2)16-11)8-15-10(6-7-18)9-19-3/h10,15,18H,4-9H2,1-3H3
InChIKeyWUCGDLQLFBGEFJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP1.61
Rot. Bonds9

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

3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol (PubChem CID 106159888) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol
PubChem CID106159888
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol
SMILESCCc1nn(CC)c(CNC(CCO)COC)c1Cl
InChIInChI=1S/C13H24ClN3O2/c1-4-11-13(14)12(17(5-2)16-11)8-15-10(6-7-18)9-19-3/h10,15,18H,4-9H2,1-3H3
InChIKeyWUCGDLQLFBGEFJ-UHFFFAOYSA-N
XLogP1.61
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 113494675
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide
CID 106344866
5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol
CID 114147580
methyl 2-bromo-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]propanoate
CID 103492239
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293882
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492035
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81375350
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
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]-7-methyloctan-1-amine
CID 107815099
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105001333
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026711

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol (CID 106159888) is 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol is CCc1nn(CC)c(CNC(CCO)COC)c1Cl.
What is the InChIKey of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol?
The InChIKey is WUCGDLQLFBGEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O2/c1-4-11-13(14)12(17(5-2)16-11)8-15-10(6-7-18)9-19-3/h10,15,18H,4-9H2,1-3H3.
What are the key properties of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol?
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106159888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).