1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine

C13H22ClN3O — CID 114661347

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
SMILESCCCn1ncc(Cl)c1C(N)C(OCC)C1CC1
InChIInChI=1S/C13H22ClN3O/c1-3-7-17-12(10(14)8-16-17)11(15)13(18-4-2)9-5-6-9/h8-9,11,13H,3-7,15H2,1-2H3
InChIKeyOAWCTFFUCBHFHG-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.76
Rot. Bonds7

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine (PubChem CID 114661347) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
PubChem CID114661347
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
SMILESCCCn1ncc(Cl)c1C(N)C(OCC)C1CC1
InChIInChI=1S/C13H22ClN3O/c1-3-7-17-12(10(14)8-16-17)11(15)13(18-4-2)9-5-6-9/h8-9,11,13H,3-7,15H2,1-2H3
InChIKeyOAWCTFFUCBHFHG-UHFFFAOYSA-N
XLogP2.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine
CID 114661350
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine
CID 114661392
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116723121
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655689
1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169577
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine (CID 114661347) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine is CCCn1ncc(Cl)c1C(N)C(OCC)C1CC1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine?
The InChIKey is OAWCTFFUCBHFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-7-17-12(10(14)8-16-17)11(15)13(18-4-2)9-5-6-9/h8-9,11,13H,3-7,15H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine has a molecular weight of 271.79 g/mol, XLogP of 2.76, 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-cyclopropyl-2-ethoxyethanamine is sourced from PubChem (CID 114661347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).