(1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine

C16H22BrN3 — CID 81355776

IUPAC(1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCCc1nn(C)c(CN[C@H](C)c2ccc(C)cc2)c1Br
InChIInChI=1S/C16H22BrN3/c1-5-14-16(17)15(20(4)19-14)10-18-12(3)13-8-6-11(2)7-9-13/h6-9,12,18H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyUKAOJYQOMFFTRF-GFCCVEGCSA-N
MW336.28 g/mol
LogP3.90
Rot. Bonds5

About (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine

(1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81355776) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID81355776
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name(1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCCc1nn(C)c(CN[C@H](C)c2ccc(C)cc2)c1Br
InChIInChI=1S/C16H22BrN3/c1-5-14-16(17)15(20(4)19-14)10-18-12(3)13-8-6-11(2)7-9-13/h6-9,12,18H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyUKAOJYQOMFFTRF-GFCCVEGCSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
CID 81359014
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
(1R)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356977
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
(1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
CID 81359395
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81352561
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
(1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 81350265
3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylsulfanyl]-2-methylaniline
CID 79144163
(1R)-N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(2-bromophenyl)ethanamine
CID 81378060

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 81355776) is (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine is CCc1nn(C)c(CN[C@H](C)c2ccc(C)cc2)c1Br.
What is the InChIKey of (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is UKAOJYQOMFFTRF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-5-14-16(17)15(20(4)19-14)10-18-12(3)13-8-6-11(2)7-9-13/h6-9,12,18H,5,10H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine?
(1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 336.28 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81355776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).