1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine

C12H20BrN3O — CID 114660920

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
SMILESCCn1ncc(Br)c1C(NC)C1(OC)CCC1
InChIInChI=1S/C12H20BrN3O/c1-4-16-10(9(13)8-15-16)11(14-2)12(17-3)6-5-7-12/h8,11,14H,4-7H2,1-3H3
InChIKeyVLOZIBVGIDICRF-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.50
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine (PubChem CID 114660920) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
PubChem CID114660920
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
SMILESCCn1ncc(Br)c1C(NC)C1(OC)CCC1
InChIInChI=1S/C12H20BrN3O/c1-4-16-10(9(13)8-15-16)11(14-2)12(17-3)6-5-7-12/h8,11,14H,4-7H2,1-3H3
InChIKeyVLOZIBVGIDICRF-UHFFFAOYSA-N
XLogP2.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 114660949
2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660931
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 114661811
[(4-bromo-1-ethylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276358
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830594
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105183011
[(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217367
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine (CID 114660920) is 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine is CCn1ncc(Br)c1C(NC)C1(OC)CCC1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine?
The InChIKey is VLOZIBVGIDICRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-4-16-10(9(13)8-15-16)11(14-2)12(17-3)6-5-7-12/h8,11,14H,4-7H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine has a molecular weight of 302.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine is sourced from PubChem (CID 114660920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).