1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine

C11H20ClN3O — CID 114652830

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H20ClN3O/c1-5-16-8(4)10(13)11-9(12)6-14-15(11)7(2)3/h6-8,10H,5,13H2,1-4H3
InChIKeySWMXKIJDWPDLQJ-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.54
Rot. Bonds5

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

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine (PubChem CID 114652830) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine
PubChem CID114652830
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H20ClN3O/c1-5-16-8(4)10(13)11-9(12)6-14-15(11)7(2)3/h6-8,10H,5,13H2,1-4H3
InChIKeySWMXKIJDWPDLQJ-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
CID 114655949
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105041777
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)-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)-4-ethoxybutan-1-ol
CID 105128291
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-3-methylbutan-1-amine
CID 114661238
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275862

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine (CID 114652830) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine is CCOC(C)C(N)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine?
The InChIKey is SWMXKIJDWPDLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c1-5-16-8(4)10(13)11-9(12)6-14-15(11)7(2)3/h6-8,10H,5,13H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine has a molecular weight of 245.75 g/mol, XLogP of 2.54, 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-ethoxypropan-1-amine is sourced from PubChem (CID 114652830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).