3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine

C12H22ClN3O — CID 114664479

IUPAC3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1c(Cl)cnn1CCOC
InChIInChI=1S/C12H22ClN3O/c1-4-14-8-10(2)7-12-11(13)9-15-16(12)5-6-17-3/h9-10,14H,4-8H2,1-3H3
InChIKeyFZUFKPLEGSQQGK-UHFFFAOYSA-N
MW259.78 g/mol
LogP1.97
Rot. Bonds8

About 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine

3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 114664479) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine
PubChem CID114664479
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1c(Cl)cnn1CCOC
InChIInChI=1S/C12H22ClN3O/c1-4-14-8-10(2)7-12-11(13)9-15-16(12)5-6-17-3/h9-10,14H,4-8H2,1-3H3
InChIKeyFZUFKPLEGSQQGK-UHFFFAOYSA-N
XLogP1.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664544
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-4-methylpentan-3-amine
CID 114664314
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N-ethylpropan-1-amine
CID 114652893
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methylpropyl)butan-1-amine
CID 114666792
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-ol
CID 115839361
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine
CID 114652221
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653915
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381
5-(4-bromopentan-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114665569
N-[3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropyl]cyclopropanamine
CID 114664518

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine (CID 114664479) is 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine is CCNCC(C)Cc1c(Cl)cnn1CCOC.
What is the InChIKey of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is FZUFKPLEGSQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O/c1-4-14-8-10(2)7-12-11(13)9-15-16(12)5-6-17-3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine?
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 259.78 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 114664479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).