1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine

C11H20ClN3O — CID 114661186

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine
SMILESCCn1ncc(Cl)c1C(N)C(OC)C(C)C
InChIInChI=1S/C11H20ClN3O/c1-5-15-10(8(12)6-14-15)9(13)11(16-4)7(2)3/h6-7,9,11H,5,13H2,1-4H3
InChIKeyQLEFYJATDQYVQX-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.23
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine (PubChem CID 114661186) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine
PubChem CID114661186
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine
SMILESCCn1ncc(Cl)c1C(N)C(OC)C(C)C
InChIInChI=1S/C11H20ClN3O/c1-5-15-10(8(12)6-14-15)9(13)11(16-4)7(2)3/h6-7,9,11H,5,13H2,1-4H3
InChIKeyQLEFYJATDQYVQX-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
CID 114660378
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
CID 114662146
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-3-methylbutan-1-amine
CID 114661238
1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine
CID 116719624
(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105040745
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutyl]hydrazine
CID 105272153
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine (CID 114661186) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine is CCn1ncc(Cl)c1C(N)C(OC)C(C)C.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine?
The InChIKey is QLEFYJATDQYVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c1-5-15-10(8(12)6-14-15)9(13)11(16-4)7(2)3/h6-7,9,11H,5,13H2,1-4H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine has a molecular weight of 245.75 g/mol, XLogP of 2.23, 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-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 114661186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).