N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine

C15H26BrN3O — CID 114661811

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(Br)cnn1CC)C1(OC)CCCCC1
InChIInChI=1S/C15H26BrN3O/c1-4-17-14(13-12(16)11-18-19(13)5-2)15(20-3)9-7-6-8-10-15/h11,14,17H,4-10H2,1-3H3
InChIKeyURIVFIONADMUKP-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.67
Rot. Bonds6

About N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine

N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine (PubChem CID 114661811) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
PubChem CID114661811
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(Br)cnn1CC)C1(OC)CCCCC1
InChIInChI=1S/C15H26BrN3O/c1-4-17-14(13-12(16)11-18-19(13)5-2)15(20-3)9-7-6-8-10-15/h11,14,17H,4-10H2,1-3H3
InChIKeyURIVFIONADMUKP-UHFFFAOYSA-N
XLogP3.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 114660949
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114660920
[(4-bromo-1-ethylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276358
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114661820
(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
2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660941
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
N-[(1-methoxycyclobutyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660947
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine (CID 114661811) is N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine is CCNC(c1c(Br)cnn1CC)C1(OC)CCCCC1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine?
The InChIKey is URIVFIONADMUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-4-17-14(13-12(16)11-18-19(13)5-2)15(20-3)9-7-6-8-10-15/h11,14,17H,4-10H2,1-3H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine?
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine has a molecular weight of 344.30 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine is sourced from PubChem (CID 114661811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).