2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C14H25BrN4O — CID 114660931

IUPAC2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1c(Br)cnn1CCN(C)C)C1(OC)CCC1
InChIInChI=1S/C14H25BrN4O/c1-16-13(14(20-4)6-5-7-14)12-11(15)10-17-19(12)9-8-18(2)3/h10,13,16H,5-9H2,1-4H3
InChIKeyGYNKZIAHPANLNA-UHFFFAOYSA-N
MW345.29 g/mol
LogP2.04
Rot. Bonds7

About 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114660931) has the molecular formula C14H25BrN4O and a molecular weight of 345.29 g/mol. Its IUPAC name is 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114660931
Molecular FormulaC14H25BrN4O
Molecular Weight345.29 g/mol
Exact Mass344.12
IUPAC Name2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1c(Br)cnn1CCN(C)C)C1(OC)CCC1
InChIInChI=1S/C14H25BrN4O/c1-16-13(14(20-4)6-5-7-14)12-11(15)10-17-19(12)9-8-18(2)3/h10,13,16H,5-9H2,1-4H3
InChIKeyGYNKZIAHPANLNA-UHFFFAOYSA-N
XLogP2.04
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114660920
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclopentyl)methanol
CID 114645500
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclohexyl)methanol
CID 114645797
2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660941
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethoxy-N-methylethanamine
CID 114657541
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 114660949
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 114661811
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661716
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559845
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methoxy-N,3-dimethylbutan-1-amine
CID 105183405
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114660931) is 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CNC(c1c(Br)cnn1CCN(C)C)C1(OC)CCC1.
What is the InChIKey of 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is GYNKZIAHPANLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4O/c1-16-13(14(20-4)6-5-7-14)12-11(15)10-17-19(12)9-8-18(2)3/h10,13,16H,5-9H2,1-4H3.
What are the key properties of 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 345.29 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114660931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).