1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine

C13H24ClN3O2 — CID 114661699

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)c1c(Cl)cnn1CCOC
InChIInChI=1S/C13H24ClN3O2/c1-5-13(6-2,19-4)12(15)11-10(14)9-16-17(11)7-8-18-3/h9,12H,5-8,15H2,1-4H3
InChIKeyVPNOHIDTYQNSNK-UHFFFAOYSA-N
MW289.81 g/mol
LogP2.39
Rot. Bonds8

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine (PubChem CID 114661699) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
PubChem CID114661699
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)c1c(Cl)cnn1CCOC
InChIInChI=1S/C13H24ClN3O2/c1-5-13(6-2,19-4)12(15)11-10(14)9-16-17(11)7-8-18-3/h9,12H,5-8,15H2,1-4H3
InChIKeyVPNOHIDTYQNSNK-UHFFFAOYSA-N
XLogP2.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656662
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
CID 105054591
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxypentan-1-amine
CID 114661136
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661709
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
CID 114646633
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
CID 114649068
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-propylsulfanylethanamine
CID 114653578
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105054611

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine (CID 114661699) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine is CCC(CC)(OC)C(N)c1c(Cl)cnn1CCOC.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine?
The InChIKey is VPNOHIDTYQNSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O2/c1-5-13(6-2,19-4)12(15)11-10(14)9-16-17(11)7-8-18-3/h9,12H,5-8,15H2,1-4H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine is sourced from PubChem (CID 114661699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).