1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine

C14H24ClN3O — CID 103169577

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCCn1ncc(Cl)c1C(N)CC1CC(OCC)C1
InChIInChI=1S/C14H24ClN3O/c1-3-5-18-14(12(15)9-17-18)13(16)8-10-6-11(7-10)19-4-2/h9-11,13H,3-8,16H2,1-2H3
InChIKeyFGCKTOKWWQPICQ-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine (PubChem CID 103169577) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
PubChem CID103169577
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCCn1ncc(Cl)c1C(N)CC1CC(OCC)C1
InChIInChI=1S/C14H24ClN3O/c1-3-5-18-14(12(15)9-17-18)13(16)8-10-6-11(7-10)19-4-2/h9-11,13H,3-8,16H2,1-2H3
InChIKeyFGCKTOKWWQPICQ-UHFFFAOYSA-N
XLogP3.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659610
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 114661347
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol
CID 105128502
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334
2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103169894
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine (CID 103169577) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine is CCCn1ncc(Cl)c1C(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The InChIKey is FGCKTOKWWQPICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-5-18-14(12(15)9-17-18)13(16)8-10-6-11(7-10)19-4-2/h9-11,13H,3-8,16H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine is sourced from PubChem (CID 103169577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).