1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine

C10H18ClN3O — CID 114655949

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
SMILESCCOCC(N)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C10H18ClN3O/c1-4-15-6-9(12)10-8(11)5-13-14(10)7(2)3/h5,7,9H,4,6,12H2,1-3H3
InChIKeyFNEQMSXCIOSGGK-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.15
Rot. Bonds5

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine (PubChem CID 114655949) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
PubChem CID114655949
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
SMILESCCOCC(N)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C10H18ClN3O/c1-4-15-6-9(12)10-8(11)5-13-14(10)7(2)3/h5,7,9H,4,6,12H2,1-3H3
InChIKeyFNEQMSXCIOSGGK-UHFFFAOYSA-N
XLogP2.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 114649247
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine
CID 114652830
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine
CID 105183708
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine
CID 105336873
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine
CID 105041731
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-ethoxybutan-1-ol
CID 105128291
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661599
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine
CID 114648271
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine (CID 114655949) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine is CCOCC(N)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine?
The InChIKey is FNEQMSXCIOSGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-4-15-6-9(12)10-8(11)5-13-14(10)7(2)3/h5,7,9H,4,6,12H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine has a molecular weight of 231.73 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine is sourced from PubChem (CID 114655949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).