1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine

C10H18ClN3O — CID 114660378

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
SMILESCCn1ncc(Cl)c1C(N)CC(C)OC
InChIInChI=1S/C10H18ClN3O/c1-4-14-10(8(11)6-13-14)9(12)5-7(2)15-3/h6-7,9H,4-5,12H2,1-3H3
InChIKeyNYSRJGHCUOKBAL-UHFFFAOYSA-N
MW231.73 g/mol
LogP1.98
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine (PubChem CID 114660378) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
PubChem CID114660378
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
SMILESCCn1ncc(Cl)c1C(N)CC(C)OC
InChIInChI=1S/C10H18ClN3O/c1-4-14-10(8(11)6-13-14)9(12)5-7(2)15-3/h6-7,9H,4-5,12H2,1-3H3
InChIKeyNYSRJGHCUOKBAL-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxy-N-propylbutan-1-amine
CID 114660418
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine
CID 114661186
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
CID 114662146
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 114650316
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648348
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
(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]-3-methoxybutan-1-ol
CID 114645459

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine (CID 114660378) is 1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine is CCn1ncc(Cl)c1C(N)CC(C)OC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine?
The InChIKey is NYSRJGHCUOKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-4-14-10(8(11)6-13-14)9(12)5-7(2)15-3/h6-7,9H,4-5,12H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine has a molecular weight of 231.73 g/mol, XLogP of 1.98, 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)-3-methoxybutan-1-amine is sourced from PubChem (CID 114660378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).