1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

C14H24BrN3O — CID 103559845

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCCCn1ncc(Br)c1C(CC1(OC)CCC1)NC
InChIInChI=1S/C14H24BrN3O/c1-4-8-18-13(11(15)10-17-18)12(16-2)9-14(19-3)6-5-7-14/h10,12,16H,4-9H2,1-3H3
InChIKeyISUYCWLBDQLRIW-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.28
Rot. Bonds7

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 103559845) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID103559845
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCCCn1ncc(Br)c1C(CC1(OC)CCC1)NC
InChIInChI=1S/C14H24BrN3O/c1-4-8-18-13(11(15)10-17-18)12(16-2)9-14(19-3)6-5-7-14/h10,12,16H,4-9H2,1-3H3
InChIKeyISUYCWLBDQLRIW-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660822
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830594
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660931
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114660920
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine
CID 105183559
1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648363
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105183470

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (CID 103559845) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is CCCn1ncc(Br)c1C(CC1(OC)CCC1)NC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is ISUYCWLBDQLRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-4-8-18-13(11(15)10-17-18)12(16-2)9-14(19-3)6-5-7-14/h10,12,16H,4-9H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 330.27 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103559845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).