1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine

C14H24ClN3O — CID 114647464

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCCn1ncc(Cl)c1C(CC1CCCO1)NCC
InChIInChI=1S/C14H24ClN3O/c1-3-7-18-14(12(15)10-17-18)13(16-4-2)9-11-6-5-8-19-11/h10-11,13,16H,3-9H2,1-2H3
InChIKeyXXSVWBWZCJPBMI-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.17
Rot. Bonds7

About 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine (PubChem CID 114647464) 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)-N-ethyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
PubChem CID114647464
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCCn1ncc(Cl)c1C(CC1CCCO1)NCC
InChIInChI=1S/C14H24ClN3O/c1-3-7-18-14(12(15)10-17-18)13(16-4-2)9-11-6-5-8-19-11/h10-11,13,16H,3-9H2,1-2H3
InChIKeyXXSVWBWZCJPBMI-UHFFFAOYSA-N
XLogP3.17
TPSA39.08 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxan-2-yl)ethanamine
CID 114660462
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647467
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198590
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660477
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63975733
N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63975942
N-[6-bicyclo[3.1.0]hexanyl-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042723
2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105335717
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657209
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxan-2-yl)ethanol
CID 114645474
1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107005025

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine (CID 114647464) is 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine is CCCn1ncc(Cl)c1C(CC1CCCO1)NCC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is XXSVWBWZCJPBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-7-18-14(12(15)10-17-18)13(16-4-2)9-11-6-5-8-19-11/h10-11,13,16H,3-9H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 3.17, 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)-N-ethyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 114647464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).